data_6gnz_residue ############################ # Computer software used # ############################ 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 6gnz _Structure_validation_residue.Date_analyzed 2019-03-06 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 ' 4' ' ' LEU . . . . . . . . . . . . . 21.8 tp . . . . . 0 CA--C 1.509 -0.604 0 N-CA-C 107.361 -1.348 . . . . 0.0 107.361 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -59.35 -30.75 68.61 Favored 'General case' 0 C--N 1.317 -0.819 0 CA-C-O 121.919 0.866 . . . . 0.0 111.081 178.455 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' TYR . . . . . 0.497 ' O ' ' HB3' ' A' ' 10' ' ' HIS . 97.2 m-85 -83.95 -23.45 31.1 Favored 'General case' 0 C--N 1.311 -1.087 0 CA-C-N 115.379 -0.828 . . . . 0.0 110.969 178.38 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' ASN . . . . . 0.537 ' O ' ' HB2' ' A' ' 11' ' ' TYR . 22.2 t-20 -76.52 -61.05 2.09 Favored 'General case' 0 C--N 1.298 -1.664 0 CA-C-O 121.209 0.528 . . . . 0.0 110.49 177.263 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' MET . . . . . 0.462 ' HE1' ' HA ' ' A' ' 8' ' ' MET . 1.5 mmt -77.68 -61.52 1.97 Allowed 'General case' 0 C--N 1.302 -1.5 0 N-CA-C 113.735 1.013 . . . . 0.0 113.735 -178.276 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -63.57 -44.46 96.51 Favored Glycine 0 CA--C 1.503 -0.688 0 N-CA-C 114.174 0.43 . . . . 0.0 114.174 -175.227 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' HIS . . . . . 0.497 ' HB3' ' O ' ' A' ' 6' ' ' TYR . 25.6 t60 -68.69 -40.11 80.21 Favored 'General case' 0 C--N 1.315 -0.914 0 C-N-CA 120.388 -0.525 . . . . 0.0 110.32 -178.325 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . 0.537 ' HB2' ' O ' ' A' ' 7' ' ' ASN . 13.0 m-85 -67.25 -33.37 75.19 Favored 'General case' 0 CA--C 1.497 -1.094 0 N-CA-C 112.295 0.48 . . . . 0.0 112.295 175.773 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -58.03 -37.27 74.04 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 109.857 -0.423 . . . . 0.0 109.857 177.277 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -64.3 -48.09 78.02 Favored Glycine 0 N--CA 1.444 -0.791 0 N-CA-C 111.092 -0.803 . . . . 0.0 111.092 176.448 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.496 ' HE2' ' CE1' ' A' ' 10' ' ' HIS . 5.0 mptp? -63.78 -46.75 83.78 Favored 'General case' 0 CA--C 1.507 -0.674 0 CA-C-O 120.907 0.384 . . . . 0.0 111.406 -179.365 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -66.59 -32.66 74.14 Favored 'General case' 0 C--N 1.306 -1.309 0 CA-C-N 115.811 -0.631 . . . . 0.0 111.614 -177.417 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 26.5 m -75.9 -36.09 59.59 Favored 'General case' 0 C--N 1.311 -1.091 0 C-N-CA 119.635 -0.826 . . . . 0.0 110.977 178.466 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 9.0 tp -78.36 -54.92 11.27 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.946 0 C-N-CA 118.514 -1.274 . . . . 0.0 111.63 177.794 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 18.5 m-85 -79.2 -60.7 2.27 Favored 'General case' 0 C--N 1.315 -0.935 0 N-CA-C 112.982 0.734 . . . . 0.0 112.982 -177.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -57.75 -51.43 58.09 Favored Glycine 0 CA--C 1.497 -1.059 0 CA-C-N 115.476 -0.783 . . . . 0.0 112.608 -175.493 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 3.7 tp -63.25 -30.68 71.78 Favored 'General case' 0 C--O 1.205 -1.266 0 CA-C-N 115.487 -0.357 . . . . 0.0 111.651 -179.25 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -60.94 -35.13 75.92 Favored 'General case' 0 C--O 1.214 -0.81 0 CA-C-O 121.02 0.438 . . . . 0.0 110.291 178.59 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -69.7 -31.68 69.84 Favored 'General case' 0 C--N 1.312 -1.039 0 CA-C-O 121.461 0.648 . . . . 0.0 110.592 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 0.5 OUTLIER -89.89 -44.55 9.85 Favored 'General case' 0 C--N 1.292 -1.927 0 N-CA-C 113.392 0.886 . . . . 0.0 113.392 -177.839 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.29 -2.007 0 CA-C-O 121.524 0.678 . . . . 0.0 111.981 -179.727 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 24.9 tp . . . . . 0 N--CA 1.438 -1.037 0 N-CA-C 109.611 -0.515 . . . . 0.0 109.611 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -54.85 -39.81 69.01 Favored 'General case' 0 CA--C 1.513 -0.463 0 C-N-CA 124.611 1.164 . . . . 0.0 112.143 -177.692 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' TYR . . . . . 0.5 ' O ' ' HB3' ' A' ' 10' ' ' HIS . 88.9 m-85 -80.46 -19.75 45.33 Favored 'General case' 0 C--N 1.295 -1.772 0 CA-C-N 115.874 -0.603 . . . . 0.0 112.354 179.474 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' ASN . . . . . 0.49 ' O ' ' HB2' ' A' ' 11' ' ' TYR . 10.2 m120 -76.83 -62.93 1.48 Allowed 'General case' 0 C--O 1.196 -1.751 0 C-N-CA 118.615 -1.234 . . . . 0.0 108.526 178.032 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 35.2 tpp -78.79 -60.89 2.2 Favored 'General case' 0 C--N 1.31 -1.114 0 N-CA-C 114.147 1.166 . . . . 0.0 114.147 -176.871 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -60.47 -45.64 95.86 Favored Glycine 0 CA--C 1.506 -0.476 0 CA-C-N 116.361 -0.382 . . . . 0.0 113.51 -174.924 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' HIS . . . . . 0.5 ' HB3' ' O ' ' A' ' 6' ' ' TYR . 70.4 t60 -66.77 -43.28 84.43 Favored 'General case' 0 C--N 1.31 -1.117 0 CA-C-O 120.608 0.242 . . . . 0.0 111.122 -179.349 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . 0.49 ' HB2' ' O ' ' A' ' 7' ' ' ASN . 9.0 m-85 -68.14 -32.32 72.52 Favored 'General case' 0 CA--C 1.498 -1.022 0 N-CA-C 112.74 0.645 . . . . 0.0 112.74 178.203 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -56.53 -43.52 79.93 Favored 'General case' 0 CA--C 1.512 -0.516 0 O-C-N 123.256 0.347 . . . . 0.0 110.489 179.797 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -62.85 -39.11 97.6 Favored Glycine 0 N--CA 1.446 -0.683 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.975 179.335 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 1.3 mptm? -75.1 -33.78 61.66 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-O 121.109 0.481 . . . . 0.0 111.585 -179.916 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -72.89 -27.53 61.95 Favored 'General case' 0 C--N 1.307 -1.263 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.522 -179.257 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 19.9 m -74.93 -39.29 61.46 Favored 'General case' 0 C--N 1.308 -1.214 0 C-N-CA 120.058 -0.657 . . . . 0.0 110.35 176.895 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 12.1 tt -76.85 -55.41 10.91 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.823 0 C-N-CA 118.79 -1.164 . . . . 0.0 111.375 178.627 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 32.9 m-85 -78.9 -61.93 1.86 Allowed 'General case' 0 C--N 1.317 -0.831 0 N-CA-C 113.161 0.8 . . . . 0.0 113.161 -178.171 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -55.43 -47.83 73.63 Favored Glycine 0 CA--C 1.502 -0.739 0 CA-C-N 115.264 -0.88 . . . . 0.0 113.53 -176.377 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 1.6 tp -67.62 -31.16 70.99 Favored 'General case' 0 C--N 1.309 -1.186 0 C-N-CA 120.603 -0.439 . . . . 0.0 111.255 179.82 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -67.11 -26.43 66.7 Favored 'General case' 0 C--O 1.214 -0.784 0 CA-C-O 121.026 0.441 . . . . 0.0 110.012 178.295 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -66.93 -31.29 71.78 Favored 'General case' 0 C--N 1.313 -0.983 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.011 176.716 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 0.4 OUTLIER -89.99 -41.32 11.8 Favored 'General case' 0 N--CA 1.426 -1.637 0 C-N-CA 119.077 -1.049 . . . . 0.0 111.626 179.457 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.308 -1.233 0 N-CA-C 112.918 0.711 . . . . 0.0 112.918 -179.52 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 30.9 tp . . . . . 0 N--CA 1.416 -2.132 0 N-CA-C 106.727 -1.583 . . . . 0.0 106.727 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -60.42 -34.88 74.58 Favored 'General case' 0 C--N 1.312 -1.024 0 CA-C-O 121.148 0.499 . . . . 0.0 111.1 -179.507 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' TYR . . . . . 0.546 ' O ' ' HB3' ' A' ' 10' ' ' HIS . 98.3 m-85 -77.38 -27.81 52.65 Favored 'General case' 0 C--N 1.296 -1.756 0 CA-C-N 115.895 -0.593 . . . . 0.0 111.865 179.9 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 86.9 m-20 -77.23 -61.82 1.86 Allowed 'General case' 0 C--N 1.311 -1.091 0 C-N-CA 119.877 -0.729 . . . . 0.0 109.836 177.893 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 70.5 mmm -77.8 -61.06 2.12 Favored 'General case' 0 C--N 1.31 -1.123 0 CA-C-N 115.255 -0.884 . . . . 0.0 113.081 -176.446 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -63.39 -45.71 94.35 Favored Glycine 0 N--CA 1.463 0.47 0 CA-C-N 116.116 -0.493 . . . . 0.0 114.049 -173.682 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' HIS . . . . . 0.546 ' HB3' ' O ' ' A' ' 6' ' ' TYR . 10.1 t60 -63.35 -40.11 96.39 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.999 0.428 . . . . 0.0 110.533 -179.083 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 18.5 m-85 -73.04 -33.27 65.6 Favored 'General case' 0 C--O 1.203 -1.359 0 N-CA-C 112.273 0.471 . . . . 0.0 112.273 176.288 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -55.83 -50.62 70.05 Favored 'General case' 0 CA--C 1.501 -0.914 0 O-C-N 123.398 0.436 . . . . 0.0 111.087 -178.695 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -60.85 -40.55 98.41 Favored Glycine 0 N--CA 1.445 -0.739 0 O-C-N 123.682 0.614 . . . . 0.0 111.996 179.861 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.536 ' HE3' ' N ' ' A' ' 14' ' ' LYS . 0.7 OUTLIER -75.25 -33.47 61.3 Favored 'General case' 0 N--CA 1.443 -0.816 0 CA-C-O 120.711 0.291 . . . . 0.0 111.328 -177.333 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -71.97 -31.46 66.3 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-N 116.411 -0.359 . . . . 0.0 111.386 179.672 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 26.1 m -73.8 -36.87 65.06 Favored 'General case' 0 C--N 1.301 -1.516 0 C-N-CA 120.31 -0.556 . . . . 0.0 110.433 177.766 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 13.6 tt -78.36 -55.22 10.57 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.17 0 C-N-CA 118.013 -1.475 . . . . 0.0 112.227 176.729 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 33.9 m-85 -78.81 -55.13 5.4 Favored 'General case' 0 C--N 1.321 -0.66 0 N-CA-C 113.54 0.941 . . . . 0.0 113.54 -176.579 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -62.22 -52.36 50.15 Favored Glycine 0 CA--C 1.495 -1.189 0 CA-C-N 115.844 -0.616 . . . . 0.0 112.484 -177.276 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 4.0 tp -60.29 -30.08 69.24 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 115.518 -0.341 . . . . 0.0 111.328 -179.833 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -54.02 -25.56 21.82 Favored 'General case' 0 C--O 1.207 -1.162 0 N-CA-C 112.183 0.438 . . . . 0.0 112.183 176.719 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -66.79 -36.18 81.81 Favored 'General case' 0 C--O 1.212 -0.894 0 CA-C-O 121.026 0.441 . . . . 0.0 110.584 178.576 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -91.39 -35.72 14.23 Favored 'General case' 0 C--N 1.305 -1.327 0 CA-C-O 121.287 0.565 . . . . 0.0 111.845 179.898 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.307 -1.279 0 CA-C-N 115.652 -0.704 . . . . 0.0 112.782 179.29 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 24.0 tp . . . . . 0 CA--C 1.494 -1.191 0 N-CA-C 105.595 -2.002 . . . . 0.0 105.595 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -61.98 -35.03 77.28 Favored 'General case' 0 C--N 1.303 -1.425 0 CA-C-O 121.78 0.8 . . . . 0.0 110.76 177.071 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' TYR . . . . . 0.503 ' O ' ' HB3' ' A' ' 10' ' ' HIS . 96.1 m-85 -78.58 -25.23 45.25 Favored 'General case' 0 C--N 1.304 -1.392 0 CA-C-N 115.568 -0.742 . . . . 0.0 110.948 178.179 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' ASN . . . . . 0.494 ' O ' ' HB2' ' A' ' 11' ' ' TYR . 26.5 t-20 -76.22 -61.74 1.84 Allowed 'General case' 0 C--N 1.303 -1.433 0 CA-C-N 115.637 -0.711 . . . . 0.0 109.68 179.606 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' MET . . . . . 0.501 ' HA ' ' CE ' ' A' ' 8' ' ' MET . 3.3 mmt -78.53 -61.57 1.96 Allowed 'General case' 0 C--N 1.306 -1.315 0 N-CA-C 114.909 1.448 . . . . 0.0 114.909 -179.326 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -65.77 -46.55 82.37 Favored Glycine 0 C--O 1.247 0.951 0 C-N-CA 121.532 -0.366 . . . . 0.0 114.005 -173.387 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' HIS . . . . . 0.503 ' HB3' ' O ' ' A' ' 6' ' ' TYR . 58.8 t60 -64.34 -41.81 96.58 Favored 'General case' 0 C--N 1.321 -0.662 0 N-CA-C 110.11 -0.33 . . . . 0.0 110.11 -178.892 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . 0.494 ' HB2' ' O ' ' A' ' 7' ' ' ASN . 16.5 m-85 -71.0 -33.73 70.67 Favored 'General case' 0 C--O 1.214 -0.805 0 N-CA-C 113.048 0.759 . . . . 0.0 113.048 177.146 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -60.26 -45.87 91.78 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-O 120.872 0.368 . . . . 0.0 110.289 178.627 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -68.93 -41.62 81.5 Favored Glycine 0 N--CA 1.442 -0.954 0 N-CA-C 110.813 -0.915 . . . . 0.0 110.813 177.836 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 12.4 mptt -60.24 -42.19 94.74 Favored 'General case' 0 C--N 1.323 -0.553 0 C-N-CA 123.285 0.634 . . . . 0.0 111.914 178.747 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -70.91 -27.28 63.66 Favored 'General case' 0 C--N 1.303 -1.416 0 CA-C-O 120.975 0.417 . . . . 0.0 110.963 179.03 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' THR . . . . . 0.478 ' O ' ' HB2' ' A' ' 20' ' ' LEU . 42.3 m -74.4 -38.52 63.08 Favored 'General case' 0 N--CA 1.435 -1.225 0 N-CA-C 109.772 -0.455 . . . . 0.0 109.772 177.612 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 7.8 tp -77.53 -54.25 13.0 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.061 0 C-N-CA 119.071 -1.051 . . . . 0.0 111.43 176.776 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 50.3 m-85 -78.44 -62.75 1.58 Allowed 'General case' 0 C--N 1.319 -0.731 0 N-CA-C 114.165 1.172 . . . . 0.0 114.165 -177.484 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -56.91 -49.11 73.6 Favored Glycine 0 CA--C 1.504 -0.596 0 O-C-N 123.271 0.357 . . . . 0.0 112.457 -177.711 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.478 ' HB2' ' O ' ' A' ' 16' ' ' THR . 4.1 mp -63.29 -30.93 71.98 Favored 'General case' 0 C--O 1.209 -1.077 0 N-CA-C 113.86 1.059 . . . . 0.0 113.86 176.77 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.26 -30.97 71.49 Favored 'General case' 0 C--O 1.214 -0.79 0 CA-C-N 118.165 0.438 . . . . 0.0 110.478 176.277 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -72.04 -31.43 66.16 Favored 'General case' 0 C--N 1.306 -1.321 0 CA-C-O 120.732 0.301 . . . . 0.0 110.796 177.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' TRP . . . . . 0.443 ' CE3' ' HA ' ' A' ' 23' ' ' TRP . 1.4 t-105 -89.75 -42.97 11.0 Favored 'General case' 0 C--N 1.295 -1.766 0 C-N-CA 119.093 -1.043 . . . . 0.0 111.356 -179.333 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.302 -1.495 0 N-CA-C 112.656 0.613 . . . . 0.0 112.656 179.569 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 36.9 tp . . . . . 0 N--CA 1.434 -1.251 0 N-CA-C 106.311 -1.737 . . . . 0.0 106.311 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -58.26 -44.46 88.39 Favored 'General case' 0 C--N 1.315 -0.91 0 C-N-CA 123.331 0.653 . . . . 0.0 110.38 177.357 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' TYR . . . . . 0.545 ' O ' ' HB3' ' A' ' 10' ' ' HIS . 79.8 m-85 -75.16 -20.68 59.23 Favored 'General case' 0 C--N 1.304 -1.383 0 CA-C-N 115.3 -0.863 . . . . 0.0 112.132 178.807 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' ASN . . . . . 0.469 ' O ' ' HB2' ' A' ' 11' ' ' TYR . 28.5 t-20 -75.14 -58.92 2.98 Favored 'General case' 0 C--N 1.304 -1.394 0 CA-C-O 121.684 0.754 . . . . 0.0 109.372 178.215 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' MET . . . . . 0.446 ' HA ' ' CE ' ' A' ' 8' ' ' MET . 3.6 mmt -77.2 -57.17 3.98 Favored 'General case' 0 C--N 1.3 -1.575 0 N-CA-C 113.872 1.064 . . . . 0.0 113.872 -179.374 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -72.24 -46.76 32.99 Favored Glycine 0 C--O 1.24 0.524 0 C-N-CA 121.534 -0.365 . . . . 0.0 113.871 -172.412 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' HIS . . . . . 0.545 ' HB3' ' O ' ' A' ' 6' ' ' TYR . 81.6 t60 -67.8 -43.18 80.28 Favored 'General case' 0 C--N 1.314 -0.947 0 CA-C-O 121.079 0.466 . . . . 0.0 110.579 -177.366 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . 0.469 ' HB2' ' O ' ' A' ' 7' ' ' ASN . 59.5 m-85 -69.14 -28.73 66.71 Favored 'General case' 0 C--O 1.199 -1.567 0 C-N-CA 120.51 -0.476 . . . . 0.0 111.97 176.508 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -56.76 -42.97 80.31 Favored 'General case' 0 N--CA 1.467 0.385 0 CA-C-N 117.994 0.361 . . . . 0.0 110.586 177.06 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -71.8 -46.5 37.7 Favored Glycine 0 N--CA 1.44 -1.076 0 C-N-CA 120.367 -0.921 . . . . 0.0 111.788 178.521 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 12.6 mptt -71.06 -31.55 68.0 Favored 'General case' 0 C--N 1.318 -0.769 0 N-CA-C 113.113 0.782 . . . . 0.0 113.113 -175.566 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -75.09 -28.98 60.49 Favored 'General case' 0 C--O 1.202 -1.42 0 C-N-CA 120.988 -0.285 . . . . 0.0 110.357 178.044 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 29.7 m -76.16 -37.62 57.7 Favored 'General case' 0 C--N 1.304 -1.372 0 C-N-CA 119.99 -0.684 . . . . 0.0 111.109 178.436 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 9.0 tp -77.8 -55.16 11.04 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.95 0 C-N-CA 118.615 -1.234 . . . . 0.0 111.254 176.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 40.5 m-85 -79.34 -61.94 1.85 Allowed 'General case' 0 C--N 1.322 -0.621 0 N-CA-C 113.829 1.048 . . . . 0.0 113.829 -178.274 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -55.71 -47.78 75.83 Favored Glycine 0 CA--C 1.503 -0.714 0 CA-C-N 115.607 -0.724 . . . . 0.0 113.465 -176.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 4.4 tp -65.16 -30.68 71.62 Favored 'General case' 0 N--CA 1.428 -1.526 0 CA-C-N 115.817 -0.191 . . . . 0.0 111.076 -178.811 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -60.93 -28.33 68.86 Favored 'General case' 0 C--O 1.22 -0.448 0 CA-C-O 121.141 0.496 . . . . 0.0 110.698 177.458 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -74.5 -31.85 62.32 Favored 'General case' 0 C--N 1.313 -0.994 0 CA-C-O 121.223 0.535 . . . . 0.0 110.572 178.522 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 0.4 OUTLIER -89.87 -46.21 8.71 Favored 'General case' 0 C--N 1.296 -1.732 0 N-CA-C 112.557 0.577 . . . . 0.0 112.557 -178.521 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.293 -1.874 0 CA-C-O 121.341 0.591 . . . . 0.0 111.992 -179.44 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 36.2 tp . . . . . 0 N--CA 1.438 -1.051 0 N-CA-C 105.697 -1.964 . . . . 0.0 105.697 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -62.73 -34.73 77.78 Favored 'General case' 0 C--N 1.31 -1.125 0 CA-C-O 121.92 0.867 . . . . 0.0 110.439 177.431 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' TYR . . . . . 0.624 ' O ' ' HB3' ' A' ' 10' ' ' HIS . 76.8 m-85 -80.41 -17.0 53.11 Favored 'General case' 0 C--N 1.305 -1.356 0 CA-C-N 115.328 -0.851 . . . . 0.0 111.584 176.363 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' ASN . . . . . 0.505 ' O ' ' HB2' ' A' ' 11' ' ' TYR . 26.1 t-20 -77.54 -60.85 2.2 Favored 'General case' 0 C--N 1.294 -1.841 0 CA-C-O 121.532 0.682 . . . . 0.0 109.403 175.3 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' MET . . . . . 0.443 ' HA ' ' CE ' ' A' ' 8' ' ' MET . 2.8 mmt -76.4 -61.9 1.8 Allowed 'General case' 0 C--O 1.207 -1.162 0 N-CA-C 113.009 0.744 . . . . 0.0 113.009 -176.438 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -62.19 -46.13 94.59 Favored Glycine 0 C--O 1.238 0.376 0 N-CA-C 114.234 0.454 . . . . 0.0 114.234 -175.797 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' HIS . . . . . 0.624 ' HB3' ' O ' ' A' ' 6' ' ' TYR . 44.3 t60 -65.93 -42.94 89.44 Favored 'General case' 0 C--N 1.316 -0.867 0 CA-C-O 120.367 0.127 . . . . 0.0 110.99 -178.801 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . 0.505 ' HB2' ' O ' ' A' ' 7' ' ' ASN . 35.2 m-85 -73.04 -35.18 66.68 Favored 'General case' 0 CA--C 1.496 -1.128 0 N-CA-C 112.877 0.695 . . . . 0.0 112.877 177.579 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -59.27 -42.05 90.29 Favored 'General case' 0 CA--C 1.508 -0.64 0 N-CA-C 109.628 -0.508 . . . . 0.0 109.628 177.58 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -63.13 -47.42 88.46 Favored Glycine 0 N--CA 1.443 -0.87 0 C-N-CA 120.753 -0.737 . . . . 0.0 111.619 177.509 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 12.5 mptt -68.4 -39.07 81.78 Favored 'General case' 0 CA--C 1.507 -0.694 0 N-CA-C 112.645 0.609 . . . . 0.0 112.645 -177.92 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -72.97 -32.29 65.11 Favored 'General case' 0 C--N 1.301 -1.509 0 CA-C-N 116.601 -0.272 . . . . 0.0 110.977 179.679 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 43.6 m -75.97 -37.28 58.74 Favored 'General case' 0 C--N 1.303 -1.435 0 C-N-CA 120.317 -0.553 . . . . 0.0 111.544 177.662 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 10.6 tp -77.04 -54.66 12.56 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.924 0 C-N-CA 118.628 -1.229 . . . . 0.0 111.371 178.565 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 53.1 m-85 -79.18 -61.16 2.1 Favored 'General case' 0 C--N 1.318 -0.794 0 N-CA-C 113.964 1.098 . . . . 0.0 113.964 -179.543 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -57.75 -52.72 50.39 Favored Glycine 0 CA--C 1.501 -0.798 0 CA-C-N 115.571 -0.741 . . . . 0.0 113.096 -175.489 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 2.3 tp -61.71 -29.88 70.39 Favored 'General case' 0 C--N 1.309 -1.169 0 N-CA-C 111.517 0.191 . . . . 0.0 111.517 -179.884 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -60.39 -29.69 69.11 Favored 'General case' 0 C--N 1.35 0.589 0 CA-C-O 120.761 0.315 . . . . 0.0 110.862 178.713 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -70.61 -31.61 68.64 Favored 'General case' 0 C--N 1.315 -0.894 0 CA-C-O 121.168 0.509 . . . . 0.0 110.765 178.02 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 0.8 OUTLIER -90.75 -40.6 11.73 Favored 'General case' 0 C--N 1.301 -1.542 0 C-N-CA 119.541 -0.864 . . . . 0.0 111.772 -178.923 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.388 0 CA-C-O 121.333 0.587 . . . . 0.0 111.905 179.623 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 35.3 tp . . . . . 0 C--O 1.241 0.658 0 N-CA-C 106.526 -1.657 . . . . 0.0 106.526 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -61.17 -41.98 97.74 Favored 'General case' 0 CA--C 1.513 -0.466 0 N-CA-C 112.349 0.5 . . . . 0.0 112.349 -175.83 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' TYR . . . . . 0.577 ' O ' ' HB3' ' A' ' 10' ' ' HIS . 92.0 m-85 -79.28 -22.95 43.97 Favored 'General case' 0 C--N 1.3 -1.545 0 C-N-CA 120.528 -0.469 . . . . 0.0 111.162 178.739 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' ASN . . . . . 0.471 ' O ' ' HB2' ' A' ' 11' ' ' TYR . 51.1 t-20 -75.54 -61.61 1.85 Allowed 'General case' 0 C--N 1.297 -1.691 0 C-N-CA 120.143 -0.623 . . . . 0.0 109.367 -179.847 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' MET . . . . . 0.451 ' HE2' ' HA ' ' A' ' 8' ' ' MET . 0.5 OUTLIER -77.6 -50.77 11.84 Favored 'General case' 0 C--N 1.297 -1.68 0 CA-C-N 115.828 -0.624 . . . . 0.0 112.192 -176.803 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -74.15 -45.82 24.03 Favored Glycine 0 N--CA 1.447 -0.587 0 N-CA-C 114.425 0.53 . . . . 0.0 114.425 -173.293 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' HIS . . . . . 0.577 ' HB3' ' O ' ' A' ' 6' ' ' TYR . 60.7 t60 -67.23 -36.46 81.73 Favored 'General case' 0 C--N 1.312 -1.034 0 CA-C-O 121.001 0.429 . . . . 0.0 110.087 -178.466 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . 0.471 ' HB2' ' O ' ' A' ' 7' ' ' ASN . 25.8 m-85 -72.61 -29.67 63.68 Favored 'General case' 0 N--CA 1.442 -0.841 0 N-CA-C 112.393 0.516 . . . . 0.0 112.393 174.945 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -62.38 -46.13 90.03 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 109.2 -0.667 . . . . 0.0 109.2 175.756 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -63.86 -45.85 93.16 Favored Glycine 0 C--N 1.321 -0.29 0 N-CA-C 111.104 -0.798 . . . . 0.0 111.104 177.391 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 9.9 mptt -56.32 -51.44 68.23 Favored 'General case' 0 C--N 1.325 -0.466 0 C-N-CA 124.036 0.935 . . . . 0.0 111.046 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -70.62 -27.62 64.22 Favored 'General case' 0 C--O 1.208 -1.085 0 CA-C-N 115.612 -0.722 . . . . 0.0 111.614 -177.586 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' THR . . . . . 0.494 ' O ' ' HB2' ' A' ' 20' ' ' LEU . 91.2 m -75.16 -39.54 60.29 Favored 'General case' 0 C--N 1.304 -1.397 0 C-N-CA 120.45 -0.5 . . . . 0.0 110.774 177.86 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 8.3 tp -77.75 -54.27 12.83 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.381 0 C-N-CA 118.44 -1.304 . . . . 0.0 111.805 177.836 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 40.7 m-85 -79.02 -62.04 1.82 Allowed 'General case' 0 C--N 1.318 -0.764 0 N-CA-C 113.465 0.913 . . . . 0.0 113.465 -178.139 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -56.52 -47.44 83.94 Favored Glycine 0 CA--C 1.502 -0.73 0 CA-C-N 116.253 -0.43 . . . . 0.0 113.142 -177.449 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.494 ' HB2' ' O ' ' A' ' 16' ' ' THR . 4.1 mp -65.0 -32.18 73.77 Favored 'General case' 0 C--O 1.2 -1.539 0 N-CA-C 113.081 0.771 . . . . 0.0 113.081 176.366 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -65.4 -26.71 68.11 Favored 'General case' 0 C--O 1.208 -1.102 0 CA-C-N 118.086 0.403 . . . . 0.0 110.474 175.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -72.63 -32.65 66.07 Favored 'General case' 0 C--N 1.308 -1.22 0 C-N-CA 120.402 -0.519 . . . . 0.0 110.105 177.766 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 0.3 OUTLIER -91.0 -42.44 10.54 Favored 'General case' 0 C--O 1.205 -1.275 0 N-CA-C 113.392 0.886 . . . . 0.0 113.392 -179.448 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.297 -1.687 0 N-CA-C 112.521 0.563 . . . . 0.0 112.521 178.521 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 56.2 tp . . . . . 0 N--CA 1.426 -1.664 0 N-CA-C 106.991 -1.485 . . . . 0.0 106.991 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -53.69 -38.54 64.31 Favored 'General case' 0 C--N 1.316 -0.863 0 O-C-N 123.907 0.755 . . . . 0.0 111.059 175.495 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' TYR . . . . . 0.459 ' O ' ' HB3' ' A' ' 10' ' ' HIS . 71.0 m-85 -76.96 -23.19 52.37 Favored 'General case' 0 C--N 1.315 -0.906 0 CA-C-N 115.893 -0.594 . . . . 0.0 112.009 177.498 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' ASN . . . . . 0.52 ' O ' ' HB2' ' A' ' 11' ' ' TYR . 26.6 t-20 -75.62 -57.22 4.01 Favored 'General case' 0 C--O 1.198 -1.657 0 CA-C-O 121.597 0.713 . . . . 0.0 109.612 178.011 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' MET . . . . . 0.475 ' HE2' ' HA ' ' A' ' 8' ' ' MET . 3.0 mmt -77.34 -60.51 2.34 Favored 'General case' 0 C--N 1.29 -1.983 0 N-CA-C 112.97 0.73 . . . . 0.0 112.97 -178.775 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -69.22 -46.18 58.59 Favored Glycine 0 N--CA 1.443 -0.859 0 CA-C-N 115.76 -0.655 . . . . 0.0 113.984 -173.525 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' HIS . . . . . 0.459 ' HB3' ' O ' ' A' ' 6' ' ' TYR . 72.1 t60 -72.07 -39.9 68.69 Favored 'General case' 0 C--N 1.314 -0.944 0 C-N-CA 120.217 -0.593 . . . . 0.0 111.757 -176.826 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . 0.52 ' HB2' ' O ' ' A' ' 7' ' ' ASN . 26.9 m-85 -63.95 -32.07 73.47 Favored 'General case' 0 CA--C 1.491 -1.323 0 C-N-CA 120.593 -0.443 . . . . 0.0 111.454 175.704 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -56.23 -37.77 70.17 Favored 'General case' 0 C--O 1.224 -0.242 0 O-C-N 123.5 0.5 . . . . 0.0 110.499 178.732 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -70.13 -47.81 43.07 Favored Glycine 0 N--CA 1.443 -0.873 0 C-N-CA 120.549 -0.834 . . . . 0.0 111.61 177.518 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -68.94 -32.67 72.43 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 112.35 0.5 . . . . 0.0 112.35 -178.003 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -74.91 -28.5 60.65 Favored 'General case' 0 C--N 1.304 -1.386 0 CA-C-N 116.645 -0.252 . . . . 0.0 110.741 178.296 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 45.6 m -75.48 -38.27 59.65 Favored 'General case' 0 C--N 1.306 -1.311 0 C-N-CA 119.938 -0.705 . . . . 0.0 110.804 176.797 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 7.2 tp -77.44 -56.04 8.93 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.086 0 C-N-CA 118.601 -1.24 . . . . 0.0 111.489 177.469 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 32.5 m-85 -78.59 -53.64 6.98 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 113.537 0.94 . . . . 0.0 113.537 -177.504 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -63.54 -51.87 50.85 Favored Glycine 0 CA--C 1.501 -0.783 0 CA-C-N 115.694 -0.684 . . . . 0.0 112.401 -175.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 3.2 tp -60.15 -30.14 69.11 Favored 'General case' 0 C--N 1.316 -0.866 0 CA-C-O 119.735 -0.174 . . . . 0.0 111.227 -179.836 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -59.87 -31.26 69.61 Favored 'General case' 0 C--O 1.214 -0.811 0 CA-C-O 120.727 0.299 . . . . 0.0 110.606 176.774 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -72.44 -31.46 65.48 Favored 'General case' 0 C--O 1.21 -1.0 0 CA-C-O 120.871 0.367 . . . . 0.0 110.728 178.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -90.17 -42.85 10.82 Favored 'General case' 0 C--N 1.299 -1.597 0 C-N-CA 120.23 -0.588 . . . . 0.0 112.331 -178.281 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.307 -1.245 0 CA-C-O 121.574 0.702 . . . . 0.0 112.053 179.416 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 22.2 tp . . . . . 0 N--CA 1.421 -1.891 0 N-CA-C 106.871 -1.529 . . . . 0.0 106.871 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -63.88 -28.6 69.95 Favored 'General case' 0 C--O 1.216 -0.682 0 O-C-N 124.096 0.873 . . . . 0.0 111.177 -178.494 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' TYR . . . . . 0.571 ' O ' ' HB3' ' A' ' 10' ' ' HIS . 98.7 m-85 -78.66 -29.16 45.56 Favored 'General case' 0 C--N 1.299 -1.588 0 CA-C-N 115.656 -0.702 . . . . 0.0 111.035 178.846 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' ASN . . . . . 0.456 ' O ' ' HB2' ' A' ' 11' ' ' TYR . 56.1 t30 -76.57 -60.45 2.34 Favored 'General case' 0 C--N 1.306 -1.287 0 CA-C-O 121.054 0.454 . . . . 0.0 110.006 179.067 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' MET . . . . . 0.479 ' HA ' ' CE ' ' A' ' 8' ' ' MET . 6.0 mmt -77.24 -61.11 2.09 Favored 'General case' 0 C--N 1.315 -0.894 0 N-CA-C 114.75 1.389 . . . . 0.0 114.75 -179.932 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -63.36 -46.59 92.41 Favored Glycine 0 CA--C 1.505 -0.539 0 N-CA-C 114.742 0.657 . . . . 0.0 114.742 -174.868 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' HIS . . . . . 0.571 ' HB3' ' O ' ' A' ' 6' ' ' TYR . 43.1 t60 -66.58 -40.58 88.99 Favored 'General case' 0 C--N 1.312 -1.043 0 CA-C-O 120.753 0.311 . . . . 0.0 110.452 -177.823 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . 0.456 ' HB2' ' O ' ' A' ' 7' ' ' ASN . 49.0 m-85 -73.18 -28.6 62.3 Favored 'General case' 0 CA--C 1.506 -0.747 0 N-CA-C 113.485 0.92 . . . . 0.0 113.485 177.583 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -55.94 -43.16 77.18 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.011 0.434 . . . . 0.0 110.578 177.784 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -74.9 -42.03 31.58 Favored Glycine 0 N--CA 1.441 -1.004 0 C-N-CA 120.408 -0.901 . . . . 0.0 111.459 178.211 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 13.2 mptt -66.55 -36.43 82.65 Favored 'General case' 0 C--N 1.319 -0.757 0 N-CA-C 113.571 0.952 . . . . 0.0 113.571 -177.184 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -71.8 -28.1 63.38 Favored 'General case' 0 C--O 1.199 -1.576 0 C-N-CA 120.58 -0.448 . . . . 0.0 110.111 177.665 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 18.8 m -75.64 -40.9 55.45 Favored 'General case' 0 C--N 1.305 -1.355 0 C-N-CA 119.981 -0.688 . . . . 0.0 111.442 177.268 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 12.2 tt -77.53 -55.4 10.57 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.938 0 C-N-CA 118.679 -1.208 . . . . 0.0 111.969 177.64 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 22.1 m-85 -79.0 -56.14 4.61 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 121.334 0.587 . . . . 0.0 112.463 -176.766 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -59.87 -50.58 66.17 Favored Glycine 0 CA--C 1.501 -0.833 0 CA-C-N 115.028 -0.987 . . . . 0.0 113.112 -176.08 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 3.6 tp -63.31 -30.89 71.94 Favored 'General case' 0 N--CA 1.434 -1.266 0 CA-C-N 115.764 -0.218 . . . . 0.0 111.117 179.394 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -65.4 -31.88 73.21 Favored 'General case' 0 C--O 1.2 -1.515 0 N-CA-C 109.837 -0.431 . . . . 0.0 109.837 175.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -67.76 -31.53 71.5 Favored 'General case' 0 C--O 1.207 -1.17 0 CA-C-O 121.321 0.582 . . . . 0.0 110.049 176.851 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -86.07 -43.88 12.74 Favored 'General case' 0 C--N 1.293 -1.886 0 C-N-CA 120.285 -0.566 . . . . 0.0 111.728 179.912 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.302 -1.461 0 CA-C-O 121.327 0.584 . . . . 0.0 111.942 -179.898 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 46.8 tp . . . . . 0 N--CA 1.442 -0.847 0 N-CA-C 107.08 -1.452 . . . . 0.0 107.08 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -56.58 -29.31 61.92 Favored 'General case' 0 C--N 1.316 -0.849 0 C-N-CA 123.633 0.773 . . . . 0.0 111.881 178.69 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' TYR . . . . . 0.589 ' O ' ' HB3' ' A' ' 10' ' ' HIS . 97.3 m-85 -84.81 -18.64 34.3 Favored 'General case' 0 C--N 1.304 -1.401 0 CA-C-N 115.763 -0.653 . . . . 0.0 111.542 -178.802 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' ASN . . . . . 0.493 ' O ' ' HB2' ' A' ' 11' ' ' TYR . 81.3 m-20 -77.17 -59.5 2.75 Favored 'General case' 0 C--N 1.296 -1.75 0 CA-C-O 121.578 0.704 . . . . 0.0 109.322 174.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' MET . . . . . 0.482 ' HE1' ' HA ' ' A' ' 8' ' ' MET . 3.1 mmt -77.17 -61.48 1.97 Allowed 'General case' 0 C--N 1.304 -1.376 0 N-CA-C 113.861 1.06 . . . . 0.0 113.861 -178.127 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -67.6 -44.89 80.81 Favored Glycine 0 CA--C 1.505 -0.551 0 N-CA-C 114.555 0.582 . . . . 0.0 114.555 -175.126 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' HIS . . . . . 0.589 ' HB3' ' O ' ' A' ' 6' ' ' TYR . 30.9 t60 -65.62 -39.72 91.8 Favored 'General case' 0 C--N 1.311 -1.094 0 C-N-CA 120.638 -0.425 . . . . 0.0 110.353 -179.608 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . 0.493 ' HB2' ' O ' ' A' ' 7' ' ' ASN . 20.2 m-85 -68.29 -29.7 68.53 Favored 'General case' 0 CA--C 1.499 -0.996 0 N-CA-C 112.562 0.578 . . . . 0.0 112.562 176.112 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -57.77 -34.01 69.11 Favored 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 109.565 -0.531 . . . . 0.0 109.565 175.524 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . 0.415 ' O ' HG22 ' A' ' 17' ' ' ILE . . . -66.61 -51.52 41.21 Favored Glycine 0 N--CA 1.436 -1.32 0 C-N-CA 120.821 -0.704 . . . . 0.0 111.728 176.669 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.83 -35.72 75.01 Favored 'General case' 0 CA--C 1.497 -1.063 0 N-CA-C 112.461 0.541 . . . . 0.0 112.461 -176.004 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -71.43 -31.99 67.84 Favored 'General case' 0 C--N 1.305 -1.363 0 C-N-CA 120.631 -0.428 . . . . 0.0 111.214 -179.23 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 24.6 m -75.56 -40.61 56.47 Favored 'General case' 0 C--N 1.305 -1.332 0 C-N-CA 120.055 -0.658 . . . . 0.0 110.81 178.344 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . 0.415 HG22 ' O ' ' A' ' 13' ' ' GLY . 7.9 tp -77.41 -55.66 9.95 Favored 'Isoleucine or valine' 0 C--O 1.204 -1.301 0 C-N-CA 118.684 -1.206 . . . . 0.0 111.997 178.473 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 24.7 m-85 -78.88 -59.74 2.66 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 112.456 0.539 . . . . 0.0 112.456 -177.375 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -56.1 -52.2 50.78 Favored Glycine 0 N--CA 1.465 0.575 0 CA-C-N 115.559 -0.746 . . . . 0.0 112.451 -176.685 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 1.8 mp -63.24 -30.68 71.78 Favored 'General case' 0 C--N 1.309 -1.182 0 N-CA-C 113.279 0.844 . . . . 0.0 113.279 177.286 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.87 -27.51 69.39 Favored 'General case' 0 C--O 1.216 -0.703 0 CA-C-O 120.951 0.405 . . . . 0.0 110.637 177.324 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -71.44 -32.22 68.1 Favored 'General case' 0 C--N 1.308 -1.229 0 CA-C-O 121.101 0.477 . . . . 0.0 110.323 179.445 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 0.3 OUTLIER -90.7 -42.3 10.8 Favored 'General case' 0 N--CA 1.429 -1.52 0 C-N-CA 120.322 -0.551 . . . . 0.0 112.174 -179.781 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.303 -1.431 0 N-CA-C 112.356 0.502 . . . . 0.0 112.356 178.621 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 43.0 tp . . . . . 0 N--CA 1.439 -0.998 0 N-CA-C 107.008 -1.479 . . . . 0.0 107.008 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -58.6 -41.43 85.8 Favored 'General case' 0 C--N 1.314 -0.969 0 CA-C-O 121.487 0.661 . . . . 0.0 110.833 177.275 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' TYR . . . . . 0.485 ' O ' ' HB3' ' A' ' 10' ' ' HIS . 58.8 m-85 -75.74 -17.6 59.85 Favored 'General case' 0 C--N 1.301 -1.509 0 CA-C-N 115.906 -0.588 . . . . 0.0 112.308 178.482 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' ASN . . . . . 0.438 ' O ' ' HB2' ' A' ' 11' ' ' TYR . 14.8 t-20 -76.95 -62.31 1.69 Allowed 'General case' 0 C--N 1.304 -1.375 0 CA-C-O 121.188 0.518 . . . . 0.0 109.741 174.891 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 25.8 tpp -78.83 -61.51 1.99 Allowed 'General case' 0 C--N 1.31 -1.144 0 N-CA-C 114.306 1.224 . . . . 0.0 114.306 -178.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -65.15 -42.23 96.58 Favored Glycine 0 C--O 1.241 0.568 0 C-N-CA 121.417 -0.42 . . . . 0.0 113.691 -172.483 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' HIS . . . . . 0.485 ' HB3' ' O ' ' A' ' 6' ' ' TYR . 78.4 t60 -67.99 -45.19 74.8 Favored 'General case' 0 C--N 1.311 -1.073 0 N-CA-C 110.387 -0.227 . . . . 0.0 110.387 179.723 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . 0.438 ' HB2' ' O ' ' A' ' 7' ' ' ASN . 27.3 m-85 -66.93 -38.17 85.69 Favored 'General case' 0 C--O 1.197 -1.67 0 C-N-CA 120.308 -0.557 . . . . 0.0 111.825 177.496 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -56.3 -43.19 78.67 Favored 'General case' 0 CA--C 1.508 -0.669 0 O-C-N 123.219 0.324 . . . . 0.0 110.303 178.801 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . 0.461 ' O ' HG22 ' A' ' 17' ' ' ILE . . . -62.31 -48.62 81.18 Favored Glycine 0 N--CA 1.432 -1.568 0 CA-C-N 115.662 -0.699 . . . . 0.0 111.833 177.535 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.653 ' N ' ' HE2' ' A' ' 14' ' ' LYS . 0.6 OUTLIER -73.95 -37.3 64.58 Favored 'General case' 0 C--N 1.325 -0.475 0 C-N-CA 120.678 -0.409 . . . . 0.0 111.769 -175.583 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -69.28 -34.36 74.62 Favored 'General case' 0 C--O 1.207 -1.16 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.27 -178.431 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 24.5 m -75.31 -37.51 60.78 Favored 'General case' 0 C--N 1.303 -1.452 0 C-N-CA 119.929 -0.708 . . . . 0.0 111.058 179.75 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . 0.461 HG22 ' O ' ' A' ' 13' ' ' GLY . 11.0 tt -77.91 -55.15 11.01 Favored 'Isoleucine or valine' 0 N--CA 1.437 -1.107 0 C-N-CA 118.361 -1.336 . . . . 0.0 112.254 176.871 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 54.1 m-85 -79.33 -62.4 1.7 Allowed 'General case' 0 C--N 1.315 -0.932 0 N-CA-C 113.505 0.928 . . . . 0.0 113.505 -177.6 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -55.67 -47.87 75.0 Favored Glycine 0 CA--C 1.505 -0.569 0 CA-C-N 115.562 -0.744 . . . . 0.0 113.338 -177.369 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 1.9 tp -67.35 -30.61 70.46 Favored 'General case' 0 C--N 1.307 -1.278 0 C-N-CA 121.018 -0.273 . . . . 0.0 111.013 179.629 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -66.94 -26.37 66.81 Favored 'General case' 0 CA--C 1.507 -0.682 0 CA-C-O 121.061 0.457 . . . . 0.0 109.997 178.174 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -67.57 -31.97 72.41 Favored 'General case' 0 N--CA 1.437 -1.091 0 CA-C-N 116.073 -0.512 . . . . 0.0 109.841 177.086 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' TRP . . . . . 0.469 ' CE3' ' HA ' ' A' ' 23' ' ' TRP . 0.1 OUTLIER -90.83 -39.91 12.08 Favored 'General case' 0 N--CA 1.435 -1.211 0 C-N-CA 120.5 -0.48 . . . . 0.0 112.074 179.737 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.326 0 CA-C-O 121.193 0.52 . . . . 0.0 112.396 178.652 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 17.6 tp . . . . . 0 N--CA 1.432 -1.327 0 N-CA-C 109.349 -0.612 . . . . 0.0 109.349 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -62.16 -36.54 82.15 Favored 'General case' 0 C--O 1.218 -0.591 0 CA-C-O 121.464 0.649 . . . . 0.0 111.121 179.782 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' TYR . . . . . 0.6 ' O ' ' HB3' ' A' ' 10' ' ' HIS . 93.3 m-85 -78.2 -30.82 49.14 Favored 'General case' 0 C--N 1.303 -1.43 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.561 178.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' ASN . . . . . 0.429 ' O ' ' HB2' ' A' ' 11' ' ' TYR . 0.2 OUTLIER -76.18 -52.24 10.48 Favored 'General case' 0 C--N 1.294 -1.843 0 C-N-CA 119.586 -0.845 . . . . 0.0 109.586 -179.106 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' MET . . . . . 0.427 ' HA ' ' HE3' ' A' ' 8' ' ' MET . 0.1 OUTLIER -78.22 -61.93 1.84 Allowed 'General case' 0 C--N 1.302 -1.461 0 C-N-CA 119.766 -0.774 . . . . 0.0 112.933 179.366 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -71.14 -44.33 54.12 Favored Glycine 0 N--CA 1.461 0.358 0 N-CA-C 115.045 0.778 . . . . 0.0 115.045 -173.196 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' HIS . . . . . 0.6 ' HB3' ' O ' ' A' ' 6' ' ' TYR . 81.2 t60 -66.13 -39.74 90.12 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.247 0.546 . . . . 0.0 109.623 -178.154 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . 0.429 ' HB2' ' O ' ' A' ' 7' ' ' ASN . 24.3 m-85 -68.72 -37.13 79.25 Favored 'General case' 0 C--O 1.208 -1.101 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.652 175.189 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -56.13 -40.71 74.19 Favored 'General case' 0 CA--C 1.513 -0.45 0 O-C-N 123.549 0.531 . . . . 0.0 111.129 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -62.46 -43.45 99.01 Favored Glycine 0 N--CA 1.445 -0.762 0 C-N-CA 120.744 -0.741 . . . . 0.0 111.645 177.769 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 1.3 mptm? -74.65 -40.01 61.71 Favored 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 111.673 0.249 . . . . 0.0 111.673 -178.467 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -69.06 -30.17 68.45 Favored 'General case' 0 C--N 1.304 -1.401 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.674 -178.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 27.3 m -75.15 -38.03 61.13 Favored 'General case' 0 C--N 1.305 -1.36 0 C-N-CA 119.839 -0.744 . . . . 0.0 110.758 177.769 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 8.3 tp -78.32 -54.96 11.22 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.849 0 C-N-CA 118.2 -1.4 . . . . 0.0 111.945 177.031 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 35.0 m-85 -78.77 -54.41 6.12 Favored 'General case' 0 C--N 1.32 -0.687 0 N-CA-C 113.483 0.92 . . . . 0.0 113.483 -177.289 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -62.88 -51.41 55.84 Favored Glycine 0 CA--C 1.496 -1.136 0 CA-C-N 115.685 -0.689 . . . . 0.0 112.594 -176.087 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 3.8 tp -62.09 -30.53 71.06 Favored 'General case' 0 C--N 1.309 -1.156 0 O-C-N 123.681 0.283 . . . . 0.0 111.346 -179.48 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -61.75 -26.12 67.87 Favored 'General case' 0 C--O 1.214 -0.805 0 CA-C-O 120.756 0.312 . . . . 0.0 110.666 177.743 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -69.32 -31.54 70.07 Favored 'General case' 0 N--CA 1.443 -0.781 0 CA-C-O 121.132 0.491 . . . . 0.0 110.272 178.13 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -90.24 -39.17 12.95 Favored 'General case' 0 C--N 1.3 -1.567 0 C-N-CA 120.418 -0.513 . . . . 0.0 111.696 179.837 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.309 0 CA-C-O 121.697 0.761 . . . . 0.0 112.632 178.703 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 54.3 tp . . . . . 0 N--CA 1.437 -1.121 0 N-CA-C 108.048 -1.093 . . . . 0.0 108.048 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -56.09 -47.1 78.66 Favored 'General case' 0 C--N 1.311 -1.091 0 O-C-N 124.011 0.819 . . . . 0.0 111.162 177.929 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' TYR . . . . . 0.606 ' O ' ' HB3' ' A' ' 10' ' ' HIS . 90.5 m-85 -68.67 -30.21 68.85 Favored 'General case' 0 C--N 1.298 -1.652 0 CA-C-N 115.567 -0.742 . . . . 0.0 112.802 -179.75 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 62.0 t30 -77.54 -58.06 3.48 Favored 'General case' 0 C--N 1.301 -1.543 0 C-N-CA 119.362 -0.935 . . . . 0.0 109.829 177.879 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' MET . . . . . 0.479 ' HA ' ' HE3' ' A' ' 8' ' ' MET . 4.6 mmt -75.89 -60.67 2.22 Favored 'General case' 0 C--N 1.308 -1.228 0 N-CA-C 113.247 0.832 . . . . 0.0 113.247 -174.958 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -70.0 -42.88 67.22 Favored Glycine 0 N--CA 1.445 -0.734 0 C-N-CA 120.835 -0.698 . . . . 0.0 113.462 -174.419 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' HIS . . . . . 0.606 ' HB3' ' O ' ' A' ' 6' ' ' TYR . 48.5 t60 -67.33 -43.74 80.81 Favored 'General case' 0 CA--C 1.544 0.747 0 C-N-CA 120.645 -0.422 . . . . 0.0 111.807 -177.476 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 63.7 m-85 -73.3 -30.54 63.46 Favored 'General case' 0 N--CA 1.471 0.602 0 C-N-CA 120.445 -0.502 . . . . 0.0 112.1 177.168 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -56.13 -44.04 78.79 Favored 'General case' 0 CA--C 1.501 -0.917 0 O-C-N 123.233 0.333 . . . . 0.0 111.504 -177.635 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . 0.511 ' O ' HG23 ' A' ' 17' ' ' ILE . . . -64.21 -47.12 88.21 Favored Glycine 0 N--CA 1.435 -1.376 0 C-N-CA 120.148 -1.025 . . . . 0.0 111.74 178.631 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 13.4 mptt -74.84 -40.75 60.86 Favored 'General case' 0 C--N 1.321 -0.646 0 N-CA-C 113.02 0.748 . . . . 0.0 113.02 -172.825 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -70.08 -34.42 73.15 Favored 'General case' 0 C--N 1.306 -1.308 0 C-N-CA 120.875 -0.33 . . . . 0.0 111.081 -178.078 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 20.0 m -75.55 -39.6 57.98 Favored 'General case' 0 C--N 1.3 -1.549 0 C-N-CA 121.038 -0.265 . . . . 0.0 111.201 -179.36 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . 0.511 HG23 ' O ' ' A' ' 13' ' ' GLY . 9.3 tp -77.79 -54.95 11.56 Favored 'Isoleucine or valine' 0 C--O 1.206 -1.211 0 C-N-CA 118.496 -1.282 . . . . 0.0 111.592 177.812 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 26.3 m-85 -78.68 -61.3 2.05 Favored 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 113.385 0.883 . . . . 0.0 113.385 -176.152 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -58.69 -52.69 51.6 Favored Glycine 0 CA--C 1.502 -0.759 0 CA-C-N 115.702 -0.681 . . . . 0.0 112.289 -176.168 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 5.8 mp -61.02 -30.35 70.25 Favored 'General case' 0 CA--C 1.5 -0.961 0 N-CA-C 113.636 0.976 . . . . 0.0 113.636 177.52 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . 0.443 ' HB2' ' O ' ' A' ' 17' ' ' ILE . . . -59.22 -26.1 64.58 Favored 'General case' 0 C--O 1.21 -1.025 0 C-N-CA 121.218 -0.193 . . . . 0.0 111.205 176.33 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -74.05 -34.06 63.93 Favored 'General case' 0 C--N 1.313 -0.982 0 C-N-CA 120.257 -0.577 . . . . 0.0 110.959 179.142 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -91.13 -40.61 11.49 Favored 'General case' 0 C--O 1.204 -1.335 0 C-N-CA 119.542 -0.863 . . . . 0.0 112.176 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.411 0 CA-C-O 121.328 0.585 . . . . 0.0 112.474 177.541 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 20.4 tp . . . . . 0 N--CA 1.434 -1.239 0 N-CA-C 105.736 -1.949 . . . . 0.0 105.736 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -68.84 -39.2 80.08 Favored 'General case' 0 C--N 1.311 -1.089 0 CA-C-N 118.172 0.442 . . . . 0.0 111.187 -177.894 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' TYR . . . . . 0.501 ' O ' ' HB3' ' A' ' 10' ' ' HIS . 86.6 m-85 -75.67 -19.14 59.36 Favored 'General case' 0 C--N 1.308 -1.237 0 CA-C-O 121.298 0.57 . . . . 0.0 111.379 176.186 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' ASN . . . . . 0.442 ' O ' ' HB2' ' A' ' 11' ' ' TYR . 22.5 t-20 -76.27 -61.17 2.03 Favored 'General case' 0 C--N 1.295 -1.765 0 CA-C-O 121.508 0.67 . . . . 0.0 109.974 174.87 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' MET . . . . . 0.401 ' HE2' ' HA ' ' A' ' 8' ' ' MET . 0.2 OUTLIER -76.99 -61.16 2.07 Favored 'General case' 0 C--N 1.301 -1.518 0 CA-C-N 115.583 -0.735 . . . . 0.0 112.494 -175.292 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -67.63 -43.18 86.35 Favored Glycine 0 CA--C 1.503 -0.696 0 CA-C-N 115.956 -0.566 . . . . 0.0 113.945 -173.244 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' HIS . . . . . 0.501 ' HB3' ' O ' ' A' ' 6' ' ' TYR . 37.6 t60 -67.49 -44.52 78.3 Favored 'General case' 0 C--N 1.32 -0.675 0 N-CA-C 109.739 -0.467 . . . . 0.0 109.739 -178.01 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . 0.442 ' HB2' ' O ' ' A' ' 7' ' ' ASN . 48.7 m-85 -69.67 -29.41 66.84 Favored 'General case' 0 CA--C 1.502 -0.879 0 N-CA-C 112.828 0.677 . . . . 0.0 112.828 178.303 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -59.24 -38.42 79.97 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.181 0.515 . . . . 0.0 109.982 176.324 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -72.66 -48.11 23.98 Favored Glycine 0 N--CA 1.435 -1.417 0 CA-C-N 115.621 -0.718 . . . . 0.0 111.566 177.064 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 6.6 mtpm? -65.48 -37.39 86.7 Favored 'General case' 0 C--N 1.317 -0.845 0 N-CA-C 113.905 1.076 . . . . 0.0 113.905 -175.545 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -72.71 -28.88 62.94 Favored 'General case' 0 C--N 1.305 -1.368 0 C-N-CA 120.857 -0.337 . . . . 0.0 110.458 178.427 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' THR . . . . . 0.438 ' O ' ' HB2' ' A' ' 20' ' ' LEU . 34.0 m -75.69 -41.07 54.75 Favored 'General case' 0 N--CA 1.433 -1.307 0 CA-C-O 120.856 0.36 . . . . 0.0 110.794 178.138 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 7.3 tp -77.24 -55.6 10.21 Favored 'Isoleucine or valine' 0 C--O 1.209 -1.054 0 C-N-CA 119.274 -0.971 . . . . 0.0 111.634 178.663 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 40.3 m-85 -78.79 -61.16 2.1 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 113.495 0.924 . . . . 0.0 113.495 -177.461 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -56.68 -52.38 50.88 Favored Glycine 0 CA--C 1.503 -0.656 0 CA-C-N 115.393 -0.821 . . . . 0.0 112.4 -176.439 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.438 ' HB2' ' O ' ' A' ' 16' ' ' THR . 4.5 mp -62.08 -31.71 72.17 Favored 'General case' 0 C--O 1.204 -1.31 0 N-CA-C 113.646 0.98 . . . . 0.0 113.646 177.026 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.87 -31.5 72.56 Favored 'General case' 0 C--O 1.211 -0.96 0 CA-C-N 118.337 0.517 . . . . 0.0 110.336 177.054 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -72.64 -31.59 65.24 Favored 'General case' 0 C--N 1.303 -1.43 0 CA-C-O 120.979 0.419 . . . . 0.0 110.948 177.797 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 0.3 OUTLIER -89.78 -40.22 12.62 Favored 'General case' 0 C--O 1.191 -2.003 0 C-N-CA 118.833 -1.147 . . . . 0.0 111.632 -179.263 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.301 -1.542 0 N-CA-C 113.075 0.768 . . . . 0.0 113.075 178.488 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 29.5 tp . . . . . 0 N--CA 1.441 -0.895 0 N-CA-C 108.2 -1.037 . . . . 0.0 108.2 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -59.45 -38.76 81.57 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 121.598 0.713 . . . . 0.0 110.475 178.667 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' TYR . . . . . 0.463 ' O ' ' HB3' ' A' ' 10' ' ' HIS . 61.7 m-85 -82.51 -26.31 32.64 Favored 'General case' 0 C--N 1.302 -1.493 0 CA-C-N 115.422 -0.808 . . . . 0.0 112.543 -179.873 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' ASN . . . . . 0.448 ' O ' ' HB2' ' A' ' 11' ' ' TYR . 10.1 m120 -75.32 -56.17 4.98 Favored 'General case' 0 C--N 1.308 -1.227 0 C-N-CA 120.358 -0.537 . . . . 0.0 110.22 178.385 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' MET . . . . . 0.414 ' HE1' ' HA ' ' A' ' 8' ' ' MET . 0.2 OUTLIER -76.92 -61.34 2.01 Favored 'General case' 0 C--N 1.299 -1.59 0 CA-C-N 116.003 -0.544 . . . . 0.0 112.023 -178.685 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -71.06 -44.1 55.4 Favored Glycine 0 CA--C 1.5 -0.893 0 CA-C-N 115.686 -0.688 . . . . 0.0 114.44 -171.194 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' HIS . . . . . 0.463 ' HB3' ' O ' ' A' ' 6' ' ' TYR . 41.3 t60 -70.06 -39.16 75.83 Favored 'General case' 0 C--N 1.31 -1.136 0 C-N-CA 120.171 -0.611 . . . . 0.0 110.223 -176.118 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . 0.448 ' HB2' ' O ' ' A' ' 7' ' ' ASN . 42.9 m-85 -68.44 -28.65 67.25 Favored 'General case' 0 CA--C 1.5 -0.952 0 N-CA-C 112.529 0.566 . . . . 0.0 112.529 175.665 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -58.46 -37.93 76.48 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 109.805 -0.442 . . . . 0.0 109.805 176.563 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -75.18 -46.34 16.37 Favored Glycine 0 N--CA 1.442 -0.936 0 N-CA-C 111.257 -0.737 . . . . 0.0 111.257 177.037 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 1.2 mptm? -61.57 -41.35 97.26 Favored 'General case' 0 CA--C 1.511 -0.537 0 N-CA-C 113.401 0.889 . . . . 0.0 113.401 -178.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -71.61 -27.46 63.13 Favored 'General case' 0 C--N 1.303 -1.415 0 CA-C-O 120.662 0.268 . . . . 0.0 110.559 179.45 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 60.3 m -75.88 -38.96 57.34 Favored 'General case' 0 C--N 1.299 -1.59 0 C-N-CA 120.051 -0.66 . . . . 0.0 111.272 176.678 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -77.82 -54.78 11.85 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.978 0 C-N-CA 118.732 -1.187 . . . . 0.0 110.322 177.403 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 41.5 m-85 -78.55 -57.78 3.59 Favored 'General case' 0 C--N 1.314 -0.94 0 N-CA-C 113.308 0.855 . . . . 0.0 113.308 -177.248 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -59.51 -51.57 58.31 Favored Glycine 0 CA--C 1.503 -0.716 0 CA-C-N 115.791 -0.641 . . . . 0.0 112.454 -176.289 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 2.1 tp -61.51 -30.55 70.7 Favored 'General case' 0 C--N 1.313 -1.013 0 CA-C-O 119.705 -0.188 . . . . 0.0 111.235 179.828 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.15 -30.76 71.26 Favored 'General case' 0 C--O 1.219 -0.532 0 CA-C-N 117.928 0.331 . . . . 0.0 110.836 177.845 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -68.74 -31.72 70.99 Favored 'General case' 0 C--N 1.313 -1.0 0 CA-C-O 121.351 0.596 . . . . 0.0 110.129 178.719 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 0.5 OUTLIER -89.57 -40.07 12.86 Favored 'General case' 0 C--O 1.198 -1.647 0 C-N-CA 119.941 -0.703 . . . . 0.0 111.77 179.733 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.307 -1.276 0 CA-C-O 121.383 0.611 . . . . 0.0 112.48 179.876 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 51.5 tp . . . . . 0 N--CA 1.426 -1.67 0 N-CA-C 109.335 -0.617 . . . . 0.0 109.335 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -61.28 -33.94 74.38 Favored 'General case' 0 C--O 1.208 -1.11 0 C-N-CA 123.27 0.628 . . . . 0.0 111.692 -179.228 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' TYR . . . . . 0.551 ' O ' ' HB3' ' A' ' 10' ' ' HIS . 89.5 m-85 -73.01 -30.93 64.13 Favored 'General case' 0 C--N 1.296 -1.72 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.349 177.919 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 10.3 m120 -76.55 -61.48 1.95 Allowed 'General case' 0 C--N 1.304 -1.387 0 CA-C-O 121.349 0.595 . . . . 0.0 110.395 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 26.5 tpp -77.89 -61.67 1.92 Allowed 'General case' 0 C--O 1.201 -1.461 0 N-CA-C 113.221 0.823 . . . . 0.0 113.221 -179.649 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -61.71 -50.11 69.47 Favored Glycine 0 N--CA 1.468 0.797 0 N-CA-C 114.117 0.407 . . . . 0.0 114.117 -173.008 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' HIS . . . . . 0.551 ' HB3' ' O ' ' A' ' 6' ' ' TYR . 21.6 t60 -62.25 -43.58 98.5 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 120.573 0.225 . . . . 0.0 110.838 -177.743 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 39.4 m-85 -73.27 -35.06 66.13 Favored 'General case' 0 C--O 1.208 -1.129 0 N-CA-C 113.096 0.776 . . . . 0.0 113.096 177.937 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -56.59 -37.38 70.54 Favored 'General case' 0 C--O 1.218 -0.555 0 CA-C-O 120.546 0.212 . . . . 0.0 110.784 179.843 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -66.18 -46.57 78.77 Favored Glycine 0 N--CA 1.44 -1.037 0 C-N-CA 120.827 -0.702 . . . . 0.0 111.718 177.303 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 13.4 mptt -74.71 -38.51 62.31 Favored 'General case' 0 C--N 1.317 -0.822 0 N-CA-C 112.523 0.564 . . . . 0.0 112.523 -176.736 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -67.61 -31.23 71.11 Favored 'General case' 0 C--N 1.31 -1.122 0 CA-C-N 116.498 -0.319 . . . . 0.0 110.989 179.288 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' THR . . . . . 0.479 ' O ' ' HB2' ' A' ' 20' ' ' LEU . 91.6 m -74.7 -39.08 62.16 Favored 'General case' 0 N--CA 1.429 -1.499 0 C-N-CA 120.932 -0.307 . . . . 0.0 111.154 178.216 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 8.6 tp -77.2 -54.16 13.38 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.245 0 C-N-CA 118.319 -1.352 . . . . 0.0 111.358 178.48 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 33.2 m-85 -78.42 -62.41 1.69 Allowed 'General case' 0 C--N 1.314 -0.954 0 N-CA-C 113.507 0.928 . . . . 0.0 113.507 -177.683 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -58.55 -51.3 59.61 Favored Glycine 0 CA--C 1.499 -0.947 0 CA-C-N 115.543 -0.753 . . . . 0.0 112.678 -175.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.479 ' HB2' ' O ' ' A' ' 16' ' ' THR . 6.8 mp -62.33 -30.55 71.24 Favored 'General case' 0 C--O 1.197 -1.665 0 N-CA-C 113.406 0.891 . . . . 0.0 113.406 176.409 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -64.36 -35.58 81.33 Favored 'General case' 0 C--N 1.302 -1.478 0 C-N-CA 119.647 -0.821 . . . . 0.0 110.051 174.803 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -74.78 -32.55 62.05 Favored 'General case' 0 C--N 1.306 -1.294 0 CA-C-O 121.437 0.637 . . . . 0.0 110.535 -179.681 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 0.5 OUTLIER -89.6 -49.82 6.44 Favored 'General case' 0 C--N 1.295 -1.793 0 N-CA-C 113.55 0.944 . . . . 0.0 113.55 -177.77 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.293 -1.87 0 CA-C-O 121.385 0.612 . . . . 0.0 111.532 -178.552 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 17.7 tp . . . . . 0 N--CA 1.433 -1.299 0 N-CA-C 107.78 -1.193 . . . . 0.0 107.78 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -58.45 -39.13 79.02 Favored 'General case' 0 C--N 1.309 -1.155 0 C-N-CA 123.215 0.606 . . . . 0.0 110.069 176.628 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' TYR . . . . . 0.553 ' O ' ' HB3' ' A' ' 10' ' ' HIS . 70.0 m-85 -78.4 -14.0 59.59 Favored 'General case' 0 C--N 1.305 -1.33 0 CA-C-N 115.443 -0.798 . . . . 0.0 112.14 178.308 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 23.1 t-20 -76.57 -61.35 1.99 Allowed 'General case' 0 C--N 1.31 -1.142 0 N-CA-C 108.623 -0.88 . . . . 0.0 108.623 175.511 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 32.5 tpp -77.56 -58.79 3.08 Favored 'General case' 0 C--O 1.208 -1.125 0 N-CA-C 113.299 0.851 . . . . 0.0 113.299 -179.557 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -61.69 -47.67 88.97 Favored Glycine 0 C--O 1.239 0.438 0 O-C-N 123.192 0.308 . . . . 0.0 113.761 -172.695 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' HIS . . . . . 0.553 ' HB3' ' O ' ' A' ' 6' ' ' TYR . 39.9 t60 -63.97 -40.95 97.56 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-O 121.025 0.44 . . . . 0.0 110.767 -178.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 22.4 m-85 -73.47 -32.22 64.2 Favored 'General case' 0 C--O 1.2 -1.531 0 N-CA-C 112.823 0.675 . . . . 0.0 112.823 176.722 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -55.77 -44.9 78.15 Favored 'General case' 0 C--O 1.216 -0.67 0 C-N-CA 122.625 0.37 . . . . 0.0 111.396 -176.914 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -68.56 -37.41 85.14 Favored Glycine 0 C--N 1.313 -0.729 0 C-N-CA 120.332 -0.937 . . . . 0.0 112.202 179.396 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.432 ' HD3' ' O ' ' A' ' 10' ' ' HIS . 13.5 mptt -76.21 -30.28 57.93 Favored 'General case' 0 C--N 1.314 -0.974 0 CA-C-O 121.161 0.505 . . . . 0.0 111.725 -179.096 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -70.28 -30.63 67.7 Favored 'General case' 0 C--N 1.304 -1.41 0 CA-C-N 115.929 -0.578 . . . . 0.0 111.094 179.482 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 8.0 m -72.31 -36.31 68.87 Favored 'General case' 0 C--N 1.303 -1.413 0 C-N-CA 120.268 -0.573 . . . . 0.0 110.318 177.883 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 8.2 tp -77.84 -54.48 12.39 Favored 'Isoleucine or valine' 0 C--O 1.21 -0.98 0 C-N-CA 118.861 -1.136 . . . . 0.0 111.292 176.8 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 41.1 m-85 -78.24 -62.25 1.74 Allowed 'General case' 0 C--N 1.32 -0.7 0 N-CA-C 113.965 1.098 . . . . 0.0 113.965 -178.131 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -58.03 -50.01 69.95 Favored Glycine 0 CA--C 1.501 -0.804 0 CA-C-N 115.816 -0.629 . . . . 0.0 112.9 -175.598 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 3.7 tp -64.24 -29.95 71.02 Favored 'General case' 0 N--CA 1.434 -1.255 0 CA-C-N 115.313 -0.444 . . . . 0.0 111.445 -178.836 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -58.34 -26.12 62.74 Favored 'General case' 0 C--O 1.214 -0.8 0 N-CA-C 111.744 0.275 . . . . 0.0 111.744 179.523 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -71.68 -33.32 68.73 Favored 'General case' 0 C--O 1.212 -0.879 0 CA-C-O 121.123 0.487 . . . . 0.0 110.217 -179.554 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 0.6 OUTLIER -90.86 -36.54 14.13 Favored 'General case' 0 C--N 1.305 -1.368 0 C-N-CA 120.174 -0.61 . . . . 0.0 112.171 178.571 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.309 -1.154 0 N-CA-C 112.407 0.521 . . . . 0.0 112.407 179.505 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 19.6 tp . . . . . 0 N--CA 1.438 -1.064 0 N-CA-C 106.084 -1.821 . . . . 0.0 106.084 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -58.12 -41.93 84.68 Favored 'General case' 0 C--N 1.316 -0.868 0 CA-C-O 121.674 0.749 . . . . 0.0 112.032 -176.832 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' TYR . . . . . 0.519 ' O ' ' HB3' ' A' ' 10' ' ' HIS . 97.0 m-85 -77.18 -28.9 54.14 Favored 'General case' 0 C--N 1.296 -1.737 0 CA-C-N 115.44 -0.8 . . . . 0.0 111.631 -179.723 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 3.0 m-20 -76.11 -49.62 16.9 Favored 'General case' 0 C--N 1.293 -1.876 0 C-N-CA 119.995 -0.682 . . . . 0.0 110.812 -179.617 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' MET . . . . . 0.42 ' HA ' ' HE3' ' A' ' 8' ' ' MET . 0.0 OUTLIER -77.38 -62.24 1.72 Allowed 'General case' 0 C--N 1.304 -1.413 0 CA-C-N 116.035 -0.53 . . . . 0.0 112.305 179.662 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -73.2 -41.41 46.91 Favored Glycine 0 N--CA 1.445 -0.702 0 N-CA-C 114.984 0.754 . . . . 0.0 114.984 -172.728 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' HIS . . . . . 0.519 ' HB3' ' O ' ' A' ' 6' ' ' TYR . 56.3 t60 -70.87 -39.12 73.07 Favored 'General case' 0 C--N 1.317 -0.84 0 C-N-CA 119.779 -0.769 . . . . 0.0 110.599 -176.929 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 54.1 m-85 -70.42 -31.54 68.79 Favored 'General case' 0 CA--C 1.501 -0.919 0 C-N-CA 120.734 -0.386 . . . . 0.0 112.001 175.248 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -59.26 -33.32 70.9 Favored 'General case' 0 C--O 1.217 -0.612 0 CA-C-O 121.042 0.448 . . . . 0.0 110.517 178.209 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -73.62 -49.39 14.58 Favored Glycine 0 N--CA 1.435 -1.393 0 C-N-CA 120.322 -0.942 . . . . 0.0 111.203 176.271 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 1.2 mptm? -68.28 -39.61 82.09 Favored 'General case' 0 CA--C 1.506 -0.726 0 N-CA-C 113.724 1.009 . . . . 0.0 113.724 -175.816 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -70.32 -30.08 66.96 Favored 'General case' 0 C--N 1.308 -1.198 0 C-N-CA 120.837 -0.345 . . . . 0.0 110.808 -179.387 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 21.1 m -76.09 -36.2 59.02 Favored 'General case' 0 C--N 1.307 -1.245 0 C-N-CA 119.825 -0.75 . . . . 0.0 110.927 178.336 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 7.8 tp -78.16 -55.47 10.05 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.859 0 C-N-CA 118.518 -1.273 . . . . 0.0 112.375 176.698 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 27.5 m-85 -78.78 -62.53 1.66 Allowed 'General case' 0 C--N 1.321 -0.649 0 N-CA-C 112.917 0.71 . . . . 0.0 112.917 -177.628 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -54.77 -50.18 59.0 Favored Glycine 0 CA--C 1.5 -0.898 0 CA-C-N 115.77 -0.65 . . . . 0.0 113.554 -178.019 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 4.1 tp -64.71 -30.83 71.85 Favored 'General case' 0 C--N 1.31 -1.126 0 C-N-CA 120.893 -0.323 . . . . 0.0 111.662 -179.693 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.46 -25.9 68.23 Favored 'General case' 0 C--O 1.218 -0.603 0 CA-C-O 120.571 0.224 . . . . 0.0 110.77 178.484 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -69.63 -31.79 70.1 Favored 'General case' 0 C--O 1.21 -1.022 0 CA-C-O 121.024 0.44 . . . . 0.0 110.211 177.577 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -90.45 -40.7 11.88 Favored 'General case' 0 N--CA 1.43 -1.442 0 C-N-CA 119.661 -0.816 . . . . 0.0 111.518 -179.934 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.301 -1.505 0 CA-C-O 121.29 0.566 . . . . 0.0 111.963 179.755 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 19.7 tp . . . . . 0 N--CA 1.426 -1.663 0 N-CA-C 104.227 -2.509 . . . . 0.0 104.227 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -63.71 -31.56 72.77 Favored 'General case' 0 C--N 1.304 -1.381 0 CA-C-O 121.776 0.798 . . . . 0.0 110.818 179.537 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' TYR . . . . . 0.559 ' O ' ' HB3' ' A' ' 10' ' ' HIS . 85.5 m-85 -85.15 -19.98 30.95 Favored 'General case' 0 C--N 1.307 -1.277 0 CA-C-N 115.527 -0.761 . . . . 0.0 111.548 177.331 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 22.7 t-20 -75.95 -60.22 2.42 Favored 'General case' 0 C--N 1.298 -1.665 0 CA-C-N 115.955 -0.566 . . . . 0.0 109.888 177.722 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' MET . . . . . 0.47 ' HA ' ' CE ' ' A' ' 8' ' ' MET . 1.7 mmt -77.29 -61.02 2.12 Favored 'General case' 0 C--N 1.303 -1.416 0 N-CA-C 113.756 1.021 . . . . 0.0 113.756 179.788 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -65.29 -49.46 61.3 Favored Glycine 0 C--N 1.318 -0.457 0 N-CA-C 114.528 0.571 . . . . 0.0 114.528 -174.161 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' HIS . . . . . 0.559 ' HB3' ' O ' ' A' ' 6' ' ' TYR . 76.3 t60 -64.29 -42.1 96.55 Favored 'General case' 0 C--N 1.314 -0.965 0 CA-C-O 120.824 0.345 . . . . 0.0 111.054 -177.478 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 32.9 m-85 -68.04 -35.53 78.4 Favored 'General case' 0 C--O 1.211 -0.938 0 C-N-CA 120.777 -0.369 . . . . 0.0 111.994 175.838 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -56.76 -41.59 77.85 Favored 'General case' 0 N--CA 1.468 0.452 0 CA-C-O 120.921 0.391 . . . . 0.0 110.553 179.021 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -64.95 -44.97 93.78 Favored Glycine 0 N--CA 1.437 -1.282 0 CA-C-N 115.646 -0.707 . . . . 0.0 112.526 178.562 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 1.5 mptm? -75.16 -37.95 61.1 Favored 'General case' 0 CA--C 1.503 -0.845 0 N-CA-C 112.526 0.565 . . . . 0.0 112.526 -176.708 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -67.6 -31.09 70.88 Favored 'General case' 0 C--N 1.31 -1.132 0 CA-C-N 116.54 -0.3 . . . . 0.0 111.586 -178.222 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 27.8 m -75.99 -38.96 56.83 Favored 'General case' 0 C--N 1.304 -1.391 0 C-N-CA 119.506 -0.878 . . . . 0.0 111.407 178.145 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 11.5 tt -77.62 -55.23 10.98 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.852 0 C-N-CA 118.65 -1.22 . . . . 0.0 111.748 178.705 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 41.1 m-85 -79.71 -62.4 1.7 Allowed 'General case' 0 C--N 1.319 -0.728 0 N-CA-C 113.465 0.913 . . . . 0.0 113.465 -178.526 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -54.51 -46.8 72.38 Favored Glycine 0 CA--C 1.501 -0.805 0 CA-C-N 115.383 -0.826 . . . . 0.0 113.637 -177.331 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 2.5 tp -66.33 -31.93 73.02 Favored 'General case' 0 N--CA 1.433 -1.295 0 C-N-CA 120.986 -0.286 . . . . 0.0 111.055 179.022 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -66.18 -28.58 68.87 Favored 'General case' 0 C--O 1.216 -0.702 0 CA-C-O 121.212 0.53 . . . . 0.0 109.973 177.371 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -71.13 -31.26 67.52 Favored 'General case' 0 C--N 1.311 -1.108 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.174 176.557 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -89.26 -43.16 11.17 Favored 'General case' 0 C--N 1.299 -1.62 0 N-CA-C 112.258 0.466 . . . . 0.0 112.258 -178.677 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.297 -1.7 0 CA-C-O 121.422 0.63 . . . . 0.0 111.858 178.154 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . 0.543 ' HB3' ' OD1' ' A' ' 7' ' ' ASN . 44.8 tp . . . . . 0 C--O 1.252 1.228 0 N-CA-C 104.959 -2.237 . . . . 0.0 104.959 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -56.15 -38.85 71.41 Favored 'General case' 0 C--N 1.31 -1.122 0 O-C-N 123.997 0.811 . . . . 0.0 111.693 178.937 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' TYR . . . . . 0.485 ' O ' ' HB3' ' A' ' 10' ' ' HIS . 94.1 m-85 -74.19 -29.55 61.81 Favored 'General case' 0 C--N 1.308 -1.233 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.821 178.656 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' ASN . . . . . 0.543 ' OD1' ' HB3' ' A' ' 4' ' ' LEU . 14.3 m120 -71.21 -60.68 2.1 Favored 'General case' 0 C--N 1.299 -1.61 0 CA-C-N 116.398 -0.364 . . . . 0.0 110.709 -178.698 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 26.3 tpp -78.63 -61.58 1.96 Allowed 'General case' 0 C--N 1.301 -1.521 0 N-CA-C 113.45 0.907 . . . . 0.0 113.45 178.001 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -64.7 -47.91 78.26 Favored Glycine 0 N--CA 1.459 0.207 0 CA-C-N 115.896 -0.593 . . . . 0.0 114.496 -172.059 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' HIS . . . . . 0.485 ' HB3' ' O ' ' A' ' 6' ' ' TYR . 78.0 t60 -67.38 -43.4 81.47 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 120.866 0.365 . . . . 0.0 110.31 -178.527 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . 0.515 ' HB2' ' O ' ' A' ' 7' ' ' ASN . 24.9 m-85 -67.99 -28.84 67.77 Favored 'General case' 0 CA--C 1.491 -1.299 0 N-CA-C 113.081 0.771 . . . . 0.0 113.081 177.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -56.48 -37.64 70.62 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 120.867 0.365 . . . . 0.0 110.474 178.924 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -70.34 -45.78 52.95 Favored Glycine 0 N--CA 1.438 -1.175 0 C-N-CA 120.882 -0.675 . . . . 0.0 111.493 177.66 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.403 ' HD2' ' N ' ' A' ' 14' ' ' LYS . 0.5 OUTLIER -70.19 -32.81 70.91 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 112.126 0.417 . . . . 0.0 112.126 -178.38 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -70.55 -28.07 64.63 Favored 'General case' 0 C--O 1.203 -1.363 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.765 178.607 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' THR . . . . . 0.461 ' O ' ' HB2' ' A' ' 20' ' ' LEU . 28.0 m -74.87 -37.9 62.06 Favored 'General case' 0 C--N 1.309 -1.171 0 C-N-CA 120.386 -0.525 . . . . 0.0 109.693 177.333 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 7.7 tt -78.17 -56.36 7.76 Favored 'Isoleucine or valine' 0 C--O 1.207 -1.135 0 C-N-CA 118.302 -1.359 . . . . 0.0 111.85 177.17 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 52.2 m-85 -79.03 -53.27 7.19 Favored 'General case' 0 C--N 1.318 -0.763 0 N-CA-C 113.601 0.963 . . . . 0.0 113.601 -176.302 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -61.61 -52.61 49.81 Favored Glycine 0 CA--C 1.5 -0.87 0 CA-C-N 115.516 -0.765 . . . . 0.0 111.428 -177.224 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.461 ' HB2' ' O ' ' A' ' 16' ' ' THR . 2.5 mp -61.74 -30.85 71.05 Favored 'General case' 0 C--N 1.315 -0.912 0 N-CA-C 113.056 0.762 . . . . 0.0 113.056 177.575 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -59.44 -26.19 64.99 Favored 'General case' 0 C--O 1.214 -0.782 0 CA-C-O 120.527 0.203 . . . . 0.0 110.969 175.909 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -70.86 -31.73 68.52 Favored 'General case' 0 C--O 1.212 -0.914 0 CA-C-O 120.811 0.339 . . . . 0.0 111.17 177.014 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 0.8 OUTLIER -90.61 -40.79 11.72 Favored 'General case' 0 C--N 1.306 -1.283 0 C-N-CA 119.567 -0.853 . . . . 0.0 111.103 -179.693 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.308 -1.213 0 N-CA-C 112.6 0.593 . . . . 0.0 112.6 178.166 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 32.1 ttt180 . . . . . 0 CA--C 1.545 0.786 0 CA-C-O 121.429 0.633 . . . . 0.0 110.048 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 4.3 p-10 -103.06 135.42 44.77 Favored 'General case' 0 C--N 1.311 -1.104 0 CA-C-O 121.005 0.431 . . . . 0.0 111.608 -176.735 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 29.8 ttpt -177.17 142.23 0.35 Allowed 'General case' 0 N--CA 1.433 -1.284 0 N-CA-C 106.229 -1.767 . . . . 0.0 106.229 179.233 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 21.8 tp 177.03 163.45 0.48 Allowed 'General case' 0 CA--C 1.509 -0.604 0 N-CA-C 107.361 -1.348 . . . . 0.0 107.361 -177.266 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -59.35 -30.75 68.61 Favored 'General case' 0 C--N 1.317 -0.819 0 CA-C-O 121.919 0.866 . . . . 0.0 111.081 178.455 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . 0.497 ' O ' ' HB3' ' A' ' 10' ' ' HIS . 97.2 m-85 -83.95 -23.45 31.1 Favored 'General case' 0 C--N 1.311 -1.087 0 CA-C-N 115.379 -0.828 . . . . 0.0 110.969 178.38 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . 0.537 ' O ' ' HB2' ' A' ' 11' ' ' TYR . 22.2 t-20 -76.52 -61.05 2.09 Favored 'General case' 0 C--N 1.298 -1.664 0 CA-C-O 121.209 0.528 . . . . 0.0 110.49 177.263 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' MET . . . . . 0.462 ' HE1' ' HA ' ' A' ' 8' ' ' MET . 1.5 mmt -77.68 -61.52 1.97 Allowed 'General case' 0 C--N 1.302 -1.5 0 N-CA-C 113.735 1.013 . . . . 0.0 113.735 -178.276 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -63.57 -44.46 96.51 Favored Glycine 0 CA--C 1.503 -0.688 0 N-CA-C 114.174 0.43 . . . . 0.0 114.174 -175.227 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . 0.497 ' HB3' ' O ' ' A' ' 6' ' ' TYR . 25.6 t60 -68.69 -40.11 80.21 Favored 'General case' 0 C--N 1.315 -0.914 0 C-N-CA 120.388 -0.525 . . . . 0.0 110.32 -178.325 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . 0.537 ' HB2' ' O ' ' A' ' 7' ' ' ASN . 13.0 m-85 -67.25 -33.37 75.19 Favored 'General case' 0 CA--C 1.497 -1.094 0 N-CA-C 112.295 0.48 . . . . 0.0 112.295 175.773 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -58.03 -37.27 74.04 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 109.857 -0.423 . . . . 0.0 109.857 177.277 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -64.3 -48.09 78.02 Favored Glycine 0 N--CA 1.444 -0.791 0 N-CA-C 111.092 -0.803 . . . . 0.0 111.092 176.448 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.496 ' HE2' ' CE1' ' A' ' 10' ' ' HIS . 5.0 mptp? -63.78 -46.75 83.78 Favored 'General case' 0 CA--C 1.507 -0.674 0 CA-C-O 120.907 0.384 . . . . 0.0 111.406 -179.365 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -66.59 -32.66 74.14 Favored 'General case' 0 C--N 1.306 -1.309 0 CA-C-N 115.811 -0.631 . . . . 0.0 111.614 -177.417 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 26.5 m -75.9 -36.09 59.59 Favored 'General case' 0 C--N 1.311 -1.091 0 C-N-CA 119.635 -0.826 . . . . 0.0 110.977 178.466 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 9.0 tp -78.36 -54.92 11.27 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.946 0 C-N-CA 118.514 -1.274 . . . . 0.0 111.63 177.794 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 18.5 m-85 -79.2 -60.7 2.27 Favored 'General case' 0 C--N 1.315 -0.935 0 N-CA-C 112.982 0.734 . . . . 0.0 112.982 -177.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -57.75 -51.43 58.09 Favored Glycine 0 CA--C 1.497 -1.059 0 CA-C-N 115.476 -0.783 . . . . 0.0 112.608 -175.493 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 3.7 tp -63.25 -30.68 71.78 Favored 'General case' 0 C--O 1.205 -1.266 0 CA-C-N 115.487 -0.357 . . . . 0.0 111.651 -179.25 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -60.94 -35.13 75.92 Favored 'General case' 0 C--O 1.214 -0.81 0 CA-C-O 121.02 0.438 . . . . 0.0 110.291 178.59 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . 0.486 ' O ' ' HB3' ' A' ' 26' ' ' LEU . . . -69.7 -31.68 69.84 Favored 'General case' 0 C--N 1.312 -1.039 0 CA-C-O 121.461 0.648 . . . . 0.0 110.592 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' TRP . . . . . 0.408 ' O ' ' HB1' ' A' ' 27' ' ' ALA . 0.5 OUTLIER -89.89 -44.55 9.85 Favored 'General case' 0 C--N 1.292 -1.927 0 N-CA-C 113.392 0.886 . . . . 0.0 113.392 -177.839 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -76.64 -57.16 4.02 Favored 'General case' 0 C--N 1.29 -2.007 0 CA-C-O 121.524 0.678 . . . . 0.0 111.981 -179.727 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 95.8 mt -81.85 -39.15 24.36 Favored 'General case' 0 C--N 1.318 -0.802 0 N-CA-C 114.033 1.123 . . . . 0.0 114.033 -174.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.486 ' HB3' ' O ' ' A' ' 22' ' ' ALA . 54.8 tp -91.45 -16.68 26.94 Favored 'General case' 0 C--N 1.31 -1.129 0 N-CA-C 113.395 0.887 . . . . 0.0 113.395 -172.726 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . 0.408 ' HB1' ' O ' ' A' ' 23' ' ' TRP . . . . . . . . 0 C--N 1.289 -2.055 0 CA-C-O 118.617 -0.706 . . . . 0.0 111.689 -177.658 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 67.6 mtt180 . . . . . 0 CA--C 1.487 -1.475 0 N-CA-C 107.928 -1.138 . . . . 0.0 107.928 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . 0.412 HD21 ' HA ' ' A' ' 8' ' ' MET . 1.4 m-20 -105.27 137.11 43.58 Favored 'General case' 0 C--N 1.292 -1.928 0 C-N-CA 120.697 -0.401 . . . . 0.0 110.548 -171.772 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 18.4 ptmt -158.49 -40.31 0.06 Allowed 'General case' 0 C--N 1.317 -0.841 0 CA-C-N 115.961 -0.563 . . . . 0.0 112.036 179.563 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 24.9 tp -84.93 162.83 19.28 Favored 'General case' 0 C--N 1.29 -2.003 0 CA-C-N 115.42 -0.809 . . . . 0.0 109.611 -178.477 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -54.85 -39.81 69.01 Favored 'General case' 0 CA--C 1.513 -0.463 0 C-N-CA 124.611 1.164 . . . . 0.0 112.143 -177.692 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . 0.5 ' O ' ' HB3' ' A' ' 10' ' ' HIS . 88.9 m-85 -80.46 -19.75 45.33 Favored 'General case' 0 C--N 1.295 -1.772 0 CA-C-N 115.874 -0.603 . . . . 0.0 112.354 179.474 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . 0.49 ' O ' ' HB2' ' A' ' 11' ' ' TYR . 10.2 m120 -76.83 -62.93 1.48 Allowed 'General case' 0 C--O 1.196 -1.751 0 C-N-CA 118.615 -1.234 . . . . 0.0 108.526 178.032 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' MET . . . . . 0.412 ' HA ' HD21 ' A' ' 2' ' ' ASN . 35.2 tpp -78.79 -60.89 2.2 Favored 'General case' 0 C--N 1.31 -1.114 0 N-CA-C 114.147 1.166 . . . . 0.0 114.147 -176.871 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -60.47 -45.64 95.86 Favored Glycine 0 CA--C 1.506 -0.476 0 CA-C-N 116.361 -0.382 . . . . 0.0 113.51 -174.924 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . 0.5 ' HB3' ' O ' ' A' ' 6' ' ' TYR . 70.4 t60 -66.77 -43.28 84.43 Favored 'General case' 0 C--N 1.31 -1.117 0 CA-C-O 120.608 0.242 . . . . 0.0 111.122 -179.349 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . 0.49 ' HB2' ' O ' ' A' ' 7' ' ' ASN . 9.0 m-85 -68.14 -32.32 72.52 Favored 'General case' 0 CA--C 1.498 -1.022 0 N-CA-C 112.74 0.645 . . . . 0.0 112.74 178.203 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -56.53 -43.52 79.93 Favored 'General case' 0 CA--C 1.512 -0.516 0 O-C-N 123.256 0.347 . . . . 0.0 110.489 179.797 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -62.85 -39.11 97.6 Favored Glycine 0 N--CA 1.446 -0.683 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.975 179.335 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 1.3 mptm? -75.1 -33.78 61.66 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-O 121.109 0.481 . . . . 0.0 111.585 -179.916 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -72.89 -27.53 61.95 Favored 'General case' 0 C--N 1.307 -1.263 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.522 -179.257 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 19.9 m -74.93 -39.29 61.46 Favored 'General case' 0 C--N 1.308 -1.214 0 C-N-CA 120.058 -0.657 . . . . 0.0 110.35 176.895 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 12.1 tt -76.85 -55.41 10.91 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.823 0 C-N-CA 118.79 -1.164 . . . . 0.0 111.375 178.627 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 32.9 m-85 -78.9 -61.93 1.86 Allowed 'General case' 0 C--N 1.317 -0.831 0 N-CA-C 113.161 0.8 . . . . 0.0 113.161 -178.171 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -55.43 -47.83 73.63 Favored Glycine 0 CA--C 1.502 -0.739 0 CA-C-N 115.264 -0.88 . . . . 0.0 113.53 -176.377 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 1.6 tp -67.62 -31.16 70.99 Favored 'General case' 0 C--N 1.309 -1.186 0 C-N-CA 120.603 -0.439 . . . . 0.0 111.255 179.82 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -67.11 -26.43 66.7 Favored 'General case' 0 C--O 1.214 -0.784 0 CA-C-O 121.026 0.441 . . . . 0.0 110.012 178.295 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . 0.612 ' O ' ' HB3' ' A' ' 26' ' ' LEU . . . -66.93 -31.29 71.78 Favored 'General case' 0 C--N 1.313 -0.983 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.011 176.716 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 0.4 OUTLIER -89.99 -41.32 11.8 Favored 'General case' 0 N--CA 1.426 -1.637 0 C-N-CA 119.077 -1.049 . . . . 0.0 111.626 179.457 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -76.17 -56.03 5.02 Favored 'General case' 0 C--N 1.308 -1.233 0 N-CA-C 112.918 0.711 . . . . 0.0 112.918 -179.52 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 8.0 mp -82.58 -28.75 30.68 Favored 'General case' 0 C--N 1.319 -0.721 0 N-CA-C 114.664 1.357 . . . . 0.0 114.664 -175.52 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.612 ' HB3' ' O ' ' A' ' 22' ' ' ALA . 38.2 tp -97.53 -26.62 14.75 Favored 'General case' 0 C--N 1.317 -0.811 0 N-CA-C 112.721 0.637 . . . . 0.0 112.721 -174.111 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.278 -2.54 0 CA-C-N 115.792 -0.64 . . . . 0.0 111.518 -175.782 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 46.3 mmt-85 . . . . . 0 N--CA 1.464 0.256 0 N-CA-C 109.564 -0.532 . . . . 0.0 109.564 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 27.5 t-20 71.86 104.65 0.07 Allowed 'General case' 0 C--O 1.257 1.477 0 C-N-CA 124.387 1.075 . . . . 0.0 109.904 -173.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 12.2 ttpt -77.05 98.73 5.09 Favored 'General case' 0 N--CA 1.439 -0.979 0 CA-C-O 121.457 0.646 . . . . 0.0 109.898 -176.784 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 30.9 tp -132.86 144.98 50.55 Favored 'General case' 0 C--N 1.274 -2.676 0 N-CA-C 106.727 -1.583 . . . . 0.0 106.727 177.414 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -60.42 -34.88 74.58 Favored 'General case' 0 C--N 1.312 -1.024 0 CA-C-O 121.148 0.499 . . . . 0.0 111.1 -179.507 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . 0.546 ' O ' ' HB3' ' A' ' 10' ' ' HIS . 98.3 m-85 -77.38 -27.81 52.65 Favored 'General case' 0 C--N 1.296 -1.756 0 CA-C-N 115.895 -0.593 . . . . 0.0 111.865 179.9 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 86.9 m-20 -77.23 -61.82 1.86 Allowed 'General case' 0 C--N 1.311 -1.091 0 C-N-CA 119.877 -0.729 . . . . 0.0 109.836 177.893 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 70.5 mmm -77.8 -61.06 2.12 Favored 'General case' 0 C--N 1.31 -1.123 0 CA-C-N 115.255 -0.884 . . . . 0.0 113.081 -176.446 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -63.39 -45.71 94.35 Favored Glycine 0 N--CA 1.463 0.47 0 CA-C-N 116.116 -0.493 . . . . 0.0 114.049 -173.682 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . 0.546 ' HB3' ' O ' ' A' ' 6' ' ' TYR . 10.1 t60 -63.35 -40.11 96.39 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.999 0.428 . . . . 0.0 110.533 -179.083 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 18.5 m-85 -73.04 -33.27 65.6 Favored 'General case' 0 C--O 1.203 -1.359 0 N-CA-C 112.273 0.471 . . . . 0.0 112.273 176.288 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -55.83 -50.62 70.05 Favored 'General case' 0 CA--C 1.501 -0.914 0 O-C-N 123.398 0.436 . . . . 0.0 111.087 -178.695 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -60.85 -40.55 98.41 Favored Glycine 0 N--CA 1.445 -0.739 0 O-C-N 123.682 0.614 . . . . 0.0 111.996 179.861 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.536 ' HE3' ' N ' ' A' ' 14' ' ' LYS . 0.7 OUTLIER -75.25 -33.47 61.3 Favored 'General case' 0 N--CA 1.443 -0.816 0 CA-C-O 120.711 0.291 . . . . 0.0 111.328 -177.333 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -71.97 -31.46 66.3 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-N 116.411 -0.359 . . . . 0.0 111.386 179.672 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 26.1 m -73.8 -36.87 65.06 Favored 'General case' 0 C--N 1.301 -1.516 0 C-N-CA 120.31 -0.556 . . . . 0.0 110.433 177.766 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 13.6 tt -78.36 -55.22 10.57 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.17 0 C-N-CA 118.013 -1.475 . . . . 0.0 112.227 176.729 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 33.9 m-85 -78.81 -55.13 5.4 Favored 'General case' 0 C--N 1.321 -0.66 0 N-CA-C 113.54 0.941 . . . . 0.0 113.54 -176.579 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -62.22 -52.36 50.15 Favored Glycine 0 CA--C 1.495 -1.189 0 CA-C-N 115.844 -0.616 . . . . 0.0 112.484 -177.276 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 4.0 tp -60.29 -30.08 69.24 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 115.518 -0.341 . . . . 0.0 111.328 -179.833 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -54.02 -25.56 21.82 Favored 'General case' 0 C--O 1.207 -1.162 0 N-CA-C 112.183 0.438 . . . . 0.0 112.183 176.719 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . 0.512 ' O ' ' HB3' ' A' ' 26' ' ' LEU . . . -66.79 -36.18 81.81 Favored 'General case' 0 C--O 1.212 -0.894 0 CA-C-O 121.026 0.441 . . . . 0.0 110.584 178.576 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -91.39 -35.72 14.23 Favored 'General case' 0 C--N 1.305 -1.327 0 CA-C-O 121.287 0.565 . . . . 0.0 111.845 179.898 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -76.86 -60.76 2.22 Favored 'General case' 0 C--N 1.307 -1.279 0 CA-C-N 115.652 -0.704 . . . . 0.0 112.782 179.29 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 34.4 tp -82.34 -45.48 14.85 Favored 'General case' 0 C--N 1.313 -0.984 0 C-N-CA 123.756 0.823 . . . . 0.0 113.092 -174.272 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.512 ' HB3' ' O ' ' A' ' 22' ' ' ALA . 35.8 tp -81.32 -17.98 47.33 Favored 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 112.871 0.693 . . . . 0.0 112.871 -172.416 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.279 -2.47 0 CA-C-O 118.414 -0.803 . . . . 0.0 111.47 -178.963 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 34.0 mmt180 . . . . . 0 CA--C 1.498 -1.049 0 N-CA-C 109.377 -0.601 . . . . 0.0 109.377 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 19.5 m120 74.04 157.79 0.2 Allowed 'General case' 0 CA--C 1.51 -0.571 0 N-CA-C 114.927 1.454 . . . . 0.0 114.927 172.306 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 16.8 ptmt -152.35 178.96 8.98 Favored 'General case' 0 C--N 1.299 -1.613 0 CA-C-N 114.13 -1.396 . . . . 0.0 107.332 177.483 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 24.0 tp -170.92 166.2 7.61 Favored 'General case' 0 C--N 1.296 -1.722 0 N-CA-C 105.595 -2.002 . . . . 0.0 105.595 -179.536 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -61.98 -35.03 77.28 Favored 'General case' 0 C--N 1.303 -1.425 0 CA-C-O 121.78 0.8 . . . . 0.0 110.76 177.071 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . 0.503 ' O ' ' HB3' ' A' ' 10' ' ' HIS . 96.1 m-85 -78.58 -25.23 45.25 Favored 'General case' 0 C--N 1.304 -1.392 0 CA-C-N 115.568 -0.742 . . . . 0.0 110.948 178.179 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . 0.494 ' O ' ' HB2' ' A' ' 11' ' ' TYR . 26.5 t-20 -76.22 -61.74 1.84 Allowed 'General case' 0 C--N 1.303 -1.433 0 CA-C-N 115.637 -0.711 . . . . 0.0 109.68 179.606 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' MET . . . . . 0.501 ' HA ' ' CE ' ' A' ' 8' ' ' MET . 3.3 mmt -78.53 -61.57 1.96 Allowed 'General case' 0 C--N 1.306 -1.315 0 N-CA-C 114.909 1.448 . . . . 0.0 114.909 -179.326 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -65.77 -46.55 82.37 Favored Glycine 0 C--O 1.247 0.951 0 C-N-CA 121.532 -0.366 . . . . 0.0 114.005 -173.387 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . 0.503 ' HB3' ' O ' ' A' ' 6' ' ' TYR . 58.8 t60 -64.34 -41.81 96.58 Favored 'General case' 0 C--N 1.321 -0.662 0 N-CA-C 110.11 -0.33 . . . . 0.0 110.11 -178.892 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . 0.494 ' HB2' ' O ' ' A' ' 7' ' ' ASN . 16.5 m-85 -71.0 -33.73 70.67 Favored 'General case' 0 C--O 1.214 -0.805 0 N-CA-C 113.048 0.759 . . . . 0.0 113.048 177.146 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -60.26 -45.87 91.78 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-O 120.872 0.368 . . . . 0.0 110.289 178.627 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -68.93 -41.62 81.5 Favored Glycine 0 N--CA 1.442 -0.954 0 N-CA-C 110.813 -0.915 . . . . 0.0 110.813 177.836 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 12.4 mptt -60.24 -42.19 94.74 Favored 'General case' 0 C--N 1.323 -0.553 0 C-N-CA 123.285 0.634 . . . . 0.0 111.914 178.747 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -70.91 -27.28 63.66 Favored 'General case' 0 C--N 1.303 -1.416 0 CA-C-O 120.975 0.417 . . . . 0.0 110.963 179.03 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' THR . . . . . 0.478 ' O ' ' HB2' ' A' ' 20' ' ' LEU . 42.3 m -74.4 -38.52 63.08 Favored 'General case' 0 N--CA 1.435 -1.225 0 N-CA-C 109.772 -0.455 . . . . 0.0 109.772 177.612 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 7.8 tp -77.53 -54.25 13.0 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.061 0 C-N-CA 119.071 -1.051 . . . . 0.0 111.43 176.776 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 50.3 m-85 -78.44 -62.75 1.58 Allowed 'General case' 0 C--N 1.319 -0.731 0 N-CA-C 114.165 1.172 . . . . 0.0 114.165 -177.484 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -56.91 -49.11 73.6 Favored Glycine 0 CA--C 1.504 -0.596 0 O-C-N 123.271 0.357 . . . . 0.0 112.457 -177.711 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.478 ' HB2' ' O ' ' A' ' 16' ' ' THR . 4.1 mp -63.29 -30.93 71.98 Favored 'General case' 0 C--O 1.209 -1.077 0 N-CA-C 113.86 1.059 . . . . 0.0 113.86 176.77 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.441 ' O ' ' HB2' ' A' ' 25' ' ' LEU . . . -62.26 -30.97 71.49 Favored 'General case' 0 C--O 1.214 -0.79 0 CA-C-N 118.165 0.438 . . . . 0.0 110.478 176.277 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . 0.641 ' O ' ' HB3' ' A' ' 26' ' ' LEU . . . -72.04 -31.43 66.16 Favored 'General case' 0 C--N 1.306 -1.321 0 CA-C-O 120.732 0.301 . . . . 0.0 110.796 177.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' TRP . . . . . 0.47 ' O ' ' HB3' ' A' ' 27' ' ' ALA . 1.4 t-105 -89.75 -42.97 11.0 Favored 'General case' 0 C--N 1.295 -1.766 0 C-N-CA 119.093 -1.043 . . . . 0.0 111.356 -179.333 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -75.98 -54.3 7.08 Favored 'General case' 0 C--N 1.302 -1.495 0 N-CA-C 112.656 0.613 . . . . 0.0 112.656 179.569 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.441 ' HB2' ' O ' ' A' ' 21' ' ' ALA . 85.2 mt -81.8 -26.78 34.09 Favored 'General case' 0 C--N 1.304 -1.377 0 N-CA-C 114.746 1.387 . . . . 0.0 114.746 -175.185 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.641 ' HB3' ' O ' ' A' ' 22' ' ' ALA . 24.5 tp -100.65 -27.29 13.47 Favored 'General case' 0 C--N 1.308 -1.209 0 N-CA-C 112.836 0.68 . . . . 0.0 112.836 -175.207 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . 0.47 ' HB3' ' O ' ' A' ' 23' ' ' TRP . . . . . . . . 0 C--N 1.277 -2.548 0 CA-C-O 118.196 -0.907 . . . . 0.0 112.211 -174.894 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 40.2 mmt180 . . . . . 0 CA--C 1.502 -0.896 0 N-CA-C 108.1 -1.074 . . . . 0.0 108.1 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 12.0 m120 -118.34 -44.93 2.65 Favored 'General case' 0 C--N 1.294 -1.816 0 CA-C-O 121.648 0.737 . . . . 0.0 109.902 176.747 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . 0.463 ' HG2' ' N ' ' A' ' 4' ' ' LEU . 21.6 ttpt -98.83 154.44 18.02 Favored 'General case' 0 C--N 1.291 -1.971 0 CA-C-N 114.992 -1.003 . . . . 0.0 109.382 -178.159 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.463 ' N ' ' HG2' ' A' ' 3' ' ' LYS . 36.9 tp -157.83 158.23 34.77 Favored 'General case' 0 C--N 1.305 -1.34 0 N-CA-C 106.311 -1.737 . . . . 0.0 106.311 176.563 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -58.26 -44.46 88.39 Favored 'General case' 0 C--N 1.315 -0.91 0 C-N-CA 123.331 0.653 . . . . 0.0 110.38 177.357 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . 0.545 ' O ' ' HB3' ' A' ' 10' ' ' HIS . 79.8 m-85 -75.16 -20.68 59.23 Favored 'General case' 0 C--N 1.304 -1.383 0 CA-C-N 115.3 -0.863 . . . . 0.0 112.132 178.807 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . 0.469 ' O ' ' HB2' ' A' ' 11' ' ' TYR . 28.5 t-20 -75.14 -58.92 2.98 Favored 'General case' 0 C--N 1.304 -1.394 0 CA-C-O 121.684 0.754 . . . . 0.0 109.372 178.215 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' MET . . . . . 0.446 ' HA ' ' CE ' ' A' ' 8' ' ' MET . 3.6 mmt -77.2 -57.17 3.98 Favored 'General case' 0 C--N 1.3 -1.575 0 N-CA-C 113.872 1.064 . . . . 0.0 113.872 -179.374 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -72.24 -46.76 32.99 Favored Glycine 0 C--O 1.24 0.524 0 C-N-CA 121.534 -0.365 . . . . 0.0 113.871 -172.412 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . 0.545 ' HB3' ' O ' ' A' ' 6' ' ' TYR . 81.6 t60 -67.8 -43.18 80.28 Favored 'General case' 0 C--N 1.314 -0.947 0 CA-C-O 121.079 0.466 . . . . 0.0 110.579 -177.366 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . 0.469 ' HB2' ' O ' ' A' ' 7' ' ' ASN . 59.5 m-85 -69.14 -28.73 66.71 Favored 'General case' 0 C--O 1.199 -1.567 0 C-N-CA 120.51 -0.476 . . . . 0.0 111.97 176.508 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -56.76 -42.97 80.31 Favored 'General case' 0 N--CA 1.467 0.385 0 CA-C-N 117.994 0.361 . . . . 0.0 110.586 177.06 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -71.8 -46.5 37.7 Favored Glycine 0 N--CA 1.44 -1.076 0 C-N-CA 120.367 -0.921 . . . . 0.0 111.788 178.521 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 12.6 mptt -71.06 -31.55 68.0 Favored 'General case' 0 C--N 1.318 -0.769 0 N-CA-C 113.113 0.782 . . . . 0.0 113.113 -175.566 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -75.09 -28.98 60.49 Favored 'General case' 0 C--O 1.202 -1.42 0 C-N-CA 120.988 -0.285 . . . . 0.0 110.357 178.044 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 29.7 m -76.16 -37.62 57.7 Favored 'General case' 0 C--N 1.304 -1.372 0 C-N-CA 119.99 -0.684 . . . . 0.0 111.109 178.436 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 9.0 tp -77.8 -55.16 11.04 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.95 0 C-N-CA 118.615 -1.234 . . . . 0.0 111.254 176.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 40.5 m-85 -79.34 -61.94 1.85 Allowed 'General case' 0 C--N 1.322 -0.621 0 N-CA-C 113.829 1.048 . . . . 0.0 113.829 -178.274 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -55.71 -47.78 75.83 Favored Glycine 0 CA--C 1.503 -0.714 0 CA-C-N 115.607 -0.724 . . . . 0.0 113.465 -176.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 4.4 tp -65.16 -30.68 71.62 Favored 'General case' 0 N--CA 1.428 -1.526 0 CA-C-N 115.817 -0.191 . . . . 0.0 111.076 -178.811 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.425 ' O ' ' HB2' ' A' ' 25' ' ' LEU . . . -60.93 -28.33 68.86 Favored 'General case' 0 C--O 1.22 -0.448 0 CA-C-O 121.141 0.496 . . . . 0.0 110.698 177.458 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . 0.559 ' O ' ' HB3' ' A' ' 26' ' ' LEU . . . -74.5 -31.85 62.32 Favored 'General case' 0 C--N 1.313 -0.994 0 CA-C-O 121.223 0.535 . . . . 0.0 110.572 178.522 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' TRP . . . . . 0.4 ' O ' ' HB3' ' A' ' 27' ' ' ALA . 0.4 OUTLIER -89.87 -46.21 8.71 Favored 'General case' 0 C--N 1.296 -1.732 0 N-CA-C 112.557 0.577 . . . . 0.0 112.557 -178.521 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -76.35 -55.81 5.21 Favored 'General case' 0 C--N 1.293 -1.874 0 CA-C-O 121.341 0.591 . . . . 0.0 111.992 -179.44 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.425 ' HB2' ' O ' ' A' ' 21' ' ' ALA . 78.1 mt -81.68 -31.06 32.38 Favored 'General case' 0 C--N 1.316 -0.862 0 N-CA-C 114.789 1.403 . . . . 0.0 114.789 -174.881 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.559 ' HB3' ' O ' ' A' ' 22' ' ' ALA . 60.6 tp -99.31 -19.76 16.88 Favored 'General case' 0 C--N 1.31 -1.124 0 N-CA-C 112.564 0.579 . . . . 0.0 112.564 -173.122 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . 0.4 ' HB3' ' O ' ' A' ' 23' ' ' TRP . . . . . . . . 0 C--N 1.285 -2.218 0 CA-C-O 118.214 -0.898 . . . . 0.0 111.976 -176.474 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 50.8 mtt-85 . . . . . 0 CA--C 1.494 -1.196 0 N-CA-C 108.132 -1.062 . . . . 0.0 108.132 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 43.5 m-80 -82.85 111.66 18.95 Favored 'General case' 0 C--N 1.305 -1.341 0 N-CA-C 107.956 -1.127 . . . . 0.0 107.956 174.907 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . 0.415 ' HE2' ' HB3' ' A' ' 3' ' ' LYS . 28.9 ttpt -142.54 139.01 31.28 Favored 'General case' 0 C--N 1.299 -1.592 0 N-CA-C 108.583 -0.895 . . . . 0.0 108.583 177.605 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 36.2 tp -177.01 167.24 2.46 Favored 'General case' 0 C--N 1.312 -1.058 0 N-CA-C 105.697 -1.964 . . . . 0.0 105.697 -177.35 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -62.73 -34.73 77.78 Favored 'General case' 0 C--N 1.31 -1.125 0 CA-C-O 121.92 0.867 . . . . 0.0 110.439 177.431 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . 0.624 ' O ' ' HB3' ' A' ' 10' ' ' HIS . 76.8 m-85 -80.41 -17.0 53.11 Favored 'General case' 0 C--N 1.305 -1.356 0 CA-C-N 115.328 -0.851 . . . . 0.0 111.584 176.363 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . 0.505 ' O ' ' HB2' ' A' ' 11' ' ' TYR . 26.1 t-20 -77.54 -60.85 2.2 Favored 'General case' 0 C--N 1.294 -1.841 0 CA-C-O 121.532 0.682 . . . . 0.0 109.403 175.3 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' MET . . . . . 0.443 ' HA ' ' CE ' ' A' ' 8' ' ' MET . 2.8 mmt -76.4 -61.9 1.8 Allowed 'General case' 0 C--O 1.207 -1.162 0 N-CA-C 113.009 0.744 . . . . 0.0 113.009 -176.438 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -62.19 -46.13 94.59 Favored Glycine 0 C--O 1.238 0.376 0 N-CA-C 114.234 0.454 . . . . 0.0 114.234 -175.797 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . 0.624 ' HB3' ' O ' ' A' ' 6' ' ' TYR . 44.3 t60 -65.93 -42.94 89.44 Favored 'General case' 0 C--N 1.316 -0.867 0 CA-C-O 120.367 0.127 . . . . 0.0 110.99 -178.801 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . 0.505 ' HB2' ' O ' ' A' ' 7' ' ' ASN . 35.2 m-85 -73.04 -35.18 66.68 Favored 'General case' 0 CA--C 1.496 -1.128 0 N-CA-C 112.877 0.695 . . . . 0.0 112.877 177.579 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -59.27 -42.05 90.29 Favored 'General case' 0 CA--C 1.508 -0.64 0 N-CA-C 109.628 -0.508 . . . . 0.0 109.628 177.58 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -63.13 -47.42 88.46 Favored Glycine 0 N--CA 1.443 -0.87 0 C-N-CA 120.753 -0.737 . . . . 0.0 111.619 177.509 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 12.5 mptt -68.4 -39.07 81.78 Favored 'General case' 0 CA--C 1.507 -0.694 0 N-CA-C 112.645 0.609 . . . . 0.0 112.645 -177.92 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -72.97 -32.29 65.11 Favored 'General case' 0 C--N 1.301 -1.509 0 CA-C-N 116.601 -0.272 . . . . 0.0 110.977 179.679 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 43.6 m -75.97 -37.28 58.74 Favored 'General case' 0 C--N 1.303 -1.435 0 C-N-CA 120.317 -0.553 . . . . 0.0 111.544 177.662 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 10.6 tp -77.04 -54.66 12.56 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.924 0 C-N-CA 118.628 -1.229 . . . . 0.0 111.371 178.565 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 53.1 m-85 -79.18 -61.16 2.1 Favored 'General case' 0 C--N 1.318 -0.794 0 N-CA-C 113.964 1.098 . . . . 0.0 113.964 -179.543 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -57.75 -52.72 50.39 Favored Glycine 0 CA--C 1.501 -0.798 0 CA-C-N 115.571 -0.741 . . . . 0.0 113.096 -175.489 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 2.3 tp -61.71 -29.88 70.39 Favored 'General case' 0 C--N 1.309 -1.169 0 N-CA-C 111.517 0.191 . . . . 0.0 111.517 -179.884 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -60.39 -29.69 69.11 Favored 'General case' 0 C--N 1.35 0.589 0 CA-C-O 120.761 0.315 . . . . 0.0 110.862 178.713 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . 0.669 ' O ' ' HB3' ' A' ' 26' ' ' LEU . . . -70.61 -31.61 68.64 Favored 'General case' 0 C--N 1.315 -0.894 0 CA-C-O 121.168 0.509 . . . . 0.0 110.765 178.02 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' TRP . . . . . 0.444 ' O ' ' HB1' ' A' ' 27' ' ' ALA . 0.8 OUTLIER -90.75 -40.6 11.73 Favored 'General case' 0 C--N 1.301 -1.542 0 C-N-CA 119.541 -0.864 . . . . 0.0 111.772 -178.923 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -76.76 -60.67 2.25 Favored 'General case' 0 C--N 1.304 -1.388 0 CA-C-O 121.333 0.587 . . . . 0.0 111.905 179.623 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 96.1 mt -81.84 -28.19 33.17 Favored 'General case' 0 C--N 1.312 -1.063 0 N-CA-C 114.599 1.333 . . . . 0.0 114.599 -173.439 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.669 ' HB3' ' O ' ' A' ' 22' ' ' ALA . 28.8 tp -94.15 -27.41 16.23 Favored 'General case' 0 C--N 1.31 -1.114 0 N-CA-C 112.724 0.638 . . . . 0.0 112.724 -175.107 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . 0.444 ' HB1' ' O ' ' A' ' 23' ' ' TRP . . . . . . . . 0 C--N 1.278 -2.518 0 CA-C-O 118.384 -0.817 . . . . 0.0 112.275 -173.432 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 21.2 mtp180 . . . . . 0 N--CA 1.456 -0.16 0 CA-C-O 120.791 0.329 . . . . 0.0 111.609 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 25.6 p-10 -97.75 155.25 17.11 Favored 'General case' 0 C--N 1.308 -1.238 0 N-CA-C 108.236 -1.024 . . . . 0.0 108.236 177.432 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 26.9 ttpt -136.28 145.56 45.68 Favored 'General case' 0 C--N 1.312 -1.044 0 C-N-CA 120.486 -0.486 . . . . 0.0 111.336 -175.57 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 35.3 tp -171.68 167.93 6.37 Favored 'General case' 0 C--O 1.241 0.658 0 N-CA-C 106.526 -1.657 . . . . 0.0 106.526 177.073 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -61.17 -41.98 97.74 Favored 'General case' 0 CA--C 1.513 -0.466 0 N-CA-C 112.349 0.5 . . . . 0.0 112.349 -175.83 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . 0.577 ' O ' ' HB3' ' A' ' 10' ' ' HIS . 92.0 m-85 -79.28 -22.95 43.97 Favored 'General case' 0 C--N 1.3 -1.545 0 C-N-CA 120.528 -0.469 . . . . 0.0 111.162 178.739 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . 0.471 ' O ' ' HB2' ' A' ' 11' ' ' TYR . 51.1 t-20 -75.54 -61.61 1.85 Allowed 'General case' 0 C--N 1.297 -1.691 0 C-N-CA 120.143 -0.623 . . . . 0.0 109.367 -179.847 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' MET . . . . . 0.451 ' HE2' ' HA ' ' A' ' 8' ' ' MET . 0.5 OUTLIER -77.6 -50.77 11.84 Favored 'General case' 0 C--N 1.297 -1.68 0 CA-C-N 115.828 -0.624 . . . . 0.0 112.192 -176.803 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -74.15 -45.82 24.03 Favored Glycine 0 N--CA 1.447 -0.587 0 N-CA-C 114.425 0.53 . . . . 0.0 114.425 -173.293 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . 0.577 ' HB3' ' O ' ' A' ' 6' ' ' TYR . 60.7 t60 -67.23 -36.46 81.73 Favored 'General case' 0 C--N 1.312 -1.034 0 CA-C-O 121.001 0.429 . . . . 0.0 110.087 -178.466 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . 0.471 ' HB2' ' O ' ' A' ' 7' ' ' ASN . 25.8 m-85 -72.61 -29.67 63.68 Favored 'General case' 0 N--CA 1.442 -0.841 0 N-CA-C 112.393 0.516 . . . . 0.0 112.393 174.945 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -62.38 -46.13 90.03 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 109.2 -0.667 . . . . 0.0 109.2 175.756 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -63.86 -45.85 93.16 Favored Glycine 0 C--N 1.321 -0.29 0 N-CA-C 111.104 -0.798 . . . . 0.0 111.104 177.391 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 9.9 mptt -56.32 -51.44 68.23 Favored 'General case' 0 C--N 1.325 -0.466 0 C-N-CA 124.036 0.935 . . . . 0.0 111.046 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -70.62 -27.62 64.22 Favored 'General case' 0 C--O 1.208 -1.085 0 CA-C-N 115.612 -0.722 . . . . 0.0 111.614 -177.586 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' THR . . . . . 0.494 ' O ' ' HB2' ' A' ' 20' ' ' LEU . 91.2 m -75.16 -39.54 60.29 Favored 'General case' 0 C--N 1.304 -1.397 0 C-N-CA 120.45 -0.5 . . . . 0.0 110.774 177.86 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 8.3 tp -77.75 -54.27 12.83 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.381 0 C-N-CA 118.44 -1.304 . . . . 0.0 111.805 177.836 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 40.7 m-85 -79.02 -62.04 1.82 Allowed 'General case' 0 C--N 1.318 -0.764 0 N-CA-C 113.465 0.913 . . . . 0.0 113.465 -178.139 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -56.52 -47.44 83.94 Favored Glycine 0 CA--C 1.502 -0.73 0 CA-C-N 116.253 -0.43 . . . . 0.0 113.142 -177.449 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.494 ' HB2' ' O ' ' A' ' 16' ' ' THR . 4.1 mp -65.0 -32.18 73.77 Favored 'General case' 0 C--O 1.2 -1.539 0 N-CA-C 113.081 0.771 . . . . 0.0 113.081 176.366 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.501 ' O ' ' HB3' ' A' ' 25' ' ' LEU . . . -65.4 -26.71 68.11 Favored 'General case' 0 C--O 1.208 -1.102 0 CA-C-N 118.086 0.403 . . . . 0.0 110.474 175.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . 0.508 ' O ' ' HB3' ' A' ' 26' ' ' LEU . . . -72.63 -32.65 66.07 Favored 'General case' 0 C--N 1.308 -1.22 0 C-N-CA 120.402 -0.519 . . . . 0.0 110.105 177.766 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' TRP . . . . . 0.428 ' O ' ' HB3' ' A' ' 27' ' ' ALA . 0.3 OUTLIER -91.0 -42.44 10.54 Favored 'General case' 0 C--O 1.205 -1.275 0 N-CA-C 113.392 0.886 . . . . 0.0 113.392 -179.448 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -76.79 -56.36 4.67 Favored 'General case' 0 C--N 1.297 -1.687 0 N-CA-C 112.521 0.563 . . . . 0.0 112.521 178.521 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.501 ' HB3' ' O ' ' A' ' 21' ' ' ALA . 32.6 tp -81.33 -42.88 19.9 Favored 'General case' 0 C--N 1.311 -1.099 0 N-CA-C 113.614 0.968 . . . . 0.0 113.614 -173.708 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.508 ' HB3' ' O ' ' A' ' 22' ' ' ALA . 37.0 tp -88.36 -17.18 31.13 Favored 'General case' 0 C--N 1.315 -0.923 0 N-CA-C 113.05 0.759 . . . . 0.0 113.05 -171.693 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . 0.428 ' HB3' ' O ' ' A' ' 23' ' ' TRP . . . . . . . . 0 C--N 1.286 -2.168 0 CA-C-O 119.017 -0.516 . . . . 0.0 112.053 -176.586 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 91.0 mtt180 . . . . . 0 CA--C 1.502 -0.871 0 N-CA-C 108.7 -0.852 . . . . 0.0 108.7 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 20.2 m120 72.17 14.57 5.58 Favored 'General case' 0 CA--C 1.511 -0.529 0 C-N-CA 124.425 1.09 . . . . 0.0 113.34 176.327 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 22.9 ttpt -61.08 133.87 56.48 Favored 'General case' 0 C--O 1.238 0.491 0 N-CA-C 108.281 -1.007 . . . . 0.0 108.281 177.087 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 56.2 tp -169.33 157.94 7.8 Favored 'General case' 0 C--N 1.295 -1.79 0 N-CA-C 106.991 -1.485 . . . . 0.0 106.991 -173.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -53.69 -38.54 64.31 Favored 'General case' 0 C--N 1.316 -0.863 0 O-C-N 123.907 0.755 . . . . 0.0 111.059 175.495 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . 0.459 ' O ' ' HB3' ' A' ' 10' ' ' HIS . 71.0 m-85 -76.96 -23.19 52.37 Favored 'General case' 0 C--N 1.315 -0.906 0 CA-C-N 115.893 -0.594 . . . . 0.0 112.009 177.498 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . 0.52 ' O ' ' HB2' ' A' ' 11' ' ' TYR . 26.6 t-20 -75.62 -57.22 4.01 Favored 'General case' 0 C--O 1.198 -1.657 0 CA-C-O 121.597 0.713 . . . . 0.0 109.612 178.011 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' MET . . . . . 0.475 ' HE2' ' HA ' ' A' ' 8' ' ' MET . 3.0 mmt -77.34 -60.51 2.34 Favored 'General case' 0 C--N 1.29 -1.983 0 N-CA-C 112.97 0.73 . . . . 0.0 112.97 -178.775 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -69.22 -46.18 58.59 Favored Glycine 0 N--CA 1.443 -0.859 0 CA-C-N 115.76 -0.655 . . . . 0.0 113.984 -173.525 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . 0.459 ' HB3' ' O ' ' A' ' 6' ' ' TYR . 72.1 t60 -72.07 -39.9 68.69 Favored 'General case' 0 C--N 1.314 -0.944 0 C-N-CA 120.217 -0.593 . . . . 0.0 111.757 -176.826 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . 0.52 ' HB2' ' O ' ' A' ' 7' ' ' ASN . 26.9 m-85 -63.95 -32.07 73.47 Favored 'General case' 0 CA--C 1.491 -1.323 0 C-N-CA 120.593 -0.443 . . . . 0.0 111.454 175.704 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -56.23 -37.77 70.17 Favored 'General case' 0 C--O 1.224 -0.242 0 O-C-N 123.5 0.5 . . . . 0.0 110.499 178.732 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -70.13 -47.81 43.07 Favored Glycine 0 N--CA 1.443 -0.873 0 C-N-CA 120.549 -0.834 . . . . 0.0 111.61 177.518 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -68.94 -32.67 72.43 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 112.35 0.5 . . . . 0.0 112.35 -178.003 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -74.91 -28.5 60.65 Favored 'General case' 0 C--N 1.304 -1.386 0 CA-C-N 116.645 -0.252 . . . . 0.0 110.741 178.296 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 45.6 m -75.48 -38.27 59.65 Favored 'General case' 0 C--N 1.306 -1.311 0 C-N-CA 119.938 -0.705 . . . . 0.0 110.804 176.797 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 7.2 tp -77.44 -56.04 8.93 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.086 0 C-N-CA 118.601 -1.24 . . . . 0.0 111.489 177.469 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 32.5 m-85 -78.59 -53.64 6.98 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 113.537 0.94 . . . . 0.0 113.537 -177.504 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -63.54 -51.87 50.85 Favored Glycine 0 CA--C 1.501 -0.783 0 CA-C-N 115.694 -0.684 . . . . 0.0 112.401 -175.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 3.2 tp -60.15 -30.14 69.11 Favored 'General case' 0 C--N 1.316 -0.866 0 CA-C-O 119.735 -0.174 . . . . 0.0 111.227 -179.836 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.449 ' O ' ' HB2' ' A' ' 25' ' ' LEU . . . -59.87 -31.26 69.61 Favored 'General case' 0 C--O 1.214 -0.811 0 CA-C-O 120.727 0.299 . . . . 0.0 110.606 176.774 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . 0.57 ' O ' ' HB3' ' A' ' 26' ' ' LEU . . . -72.44 -31.46 65.48 Favored 'General case' 0 C--O 1.21 -1.0 0 CA-C-O 120.871 0.367 . . . . 0.0 110.728 178.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -90.17 -42.85 10.82 Favored 'General case' 0 C--N 1.299 -1.597 0 C-N-CA 120.23 -0.588 . . . . 0.0 112.331 -178.281 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -76.14 -56.48 4.61 Favored 'General case' 0 C--N 1.307 -1.245 0 CA-C-O 121.574 0.702 . . . . 0.0 112.053 179.416 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.449 ' HB2' ' O ' ' A' ' 21' ' ' ALA . 95.0 mt -81.29 -36.09 30.28 Favored 'General case' 0 C--N 1.311 -1.076 0 N-CA-C 114.278 1.214 . . . . 0.0 114.278 -174.156 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.57 ' HB3' ' O ' ' A' ' 22' ' ' ALA . 29.2 tp -93.1 -22.19 19.25 Favored 'General case' 0 C--N 1.313 -0.987 0 N-CA-C 113.178 0.807 . . . . 0.0 113.178 -172.961 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.282 -2.34 0 CA-C-O 118.758 -0.639 . . . . 0.0 111.518 -176.215 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 85.8 mtt180 . . . . . 0 CA--C 1.507 -0.691 0 N-CA-C 107.65 -1.241 . . . . 0.0 107.65 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 93.4 m-20 -113.72 119.13 36.33 Favored 'General case' 0 CA--C 1.487 -1.479 0 N-CA-C 109.737 -0.468 . . . . 0.0 109.737 178.924 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -84.91 100.85 11.88 Favored 'General case' 0 N--CA 1.419 -1.998 0 N-CA-C 108.719 -0.845 . . . . 0.0 108.719 176.056 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 22.2 tp -138.72 151.98 47.6 Favored 'General case' 0 C--N 1.288 -2.104 0 N-CA-C 106.871 -1.529 . . . . 0.0 106.871 -178.018 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -63.88 -28.6 69.95 Favored 'General case' 0 C--O 1.216 -0.682 0 O-C-N 124.096 0.873 . . . . 0.0 111.177 -178.494 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . 0.571 ' O ' ' HB3' ' A' ' 10' ' ' HIS . 98.7 m-85 -78.66 -29.16 45.56 Favored 'General case' 0 C--N 1.299 -1.588 0 CA-C-N 115.656 -0.702 . . . . 0.0 111.035 178.846 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . 0.456 ' O ' ' HB2' ' A' ' 11' ' ' TYR . 56.1 t30 -76.57 -60.45 2.34 Favored 'General case' 0 C--N 1.306 -1.287 0 CA-C-O 121.054 0.454 . . . . 0.0 110.006 179.067 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' MET . . . . . 0.479 ' HA ' ' CE ' ' A' ' 8' ' ' MET . 6.0 mmt -77.24 -61.11 2.09 Favored 'General case' 0 C--N 1.315 -0.894 0 N-CA-C 114.75 1.389 . . . . 0.0 114.75 -179.932 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -63.36 -46.59 92.41 Favored Glycine 0 CA--C 1.505 -0.539 0 N-CA-C 114.742 0.657 . . . . 0.0 114.742 -174.868 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . 0.571 ' HB3' ' O ' ' A' ' 6' ' ' TYR . 43.1 t60 -66.58 -40.58 88.99 Favored 'General case' 0 C--N 1.312 -1.043 0 CA-C-O 120.753 0.311 . . . . 0.0 110.452 -177.823 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . 0.456 ' HB2' ' O ' ' A' ' 7' ' ' ASN . 49.0 m-85 -73.18 -28.6 62.3 Favored 'General case' 0 CA--C 1.506 -0.747 0 N-CA-C 113.485 0.92 . . . . 0.0 113.485 177.583 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -55.94 -43.16 77.18 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.011 0.434 . . . . 0.0 110.578 177.784 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -74.9 -42.03 31.58 Favored Glycine 0 N--CA 1.441 -1.004 0 C-N-CA 120.408 -0.901 . . . . 0.0 111.459 178.211 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 13.2 mptt -66.55 -36.43 82.65 Favored 'General case' 0 C--N 1.319 -0.757 0 N-CA-C 113.571 0.952 . . . . 0.0 113.571 -177.184 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -71.8 -28.1 63.38 Favored 'General case' 0 C--O 1.199 -1.576 0 C-N-CA 120.58 -0.448 . . . . 0.0 110.111 177.665 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 18.8 m -75.64 -40.9 55.45 Favored 'General case' 0 C--N 1.305 -1.355 0 C-N-CA 119.981 -0.688 . . . . 0.0 111.442 177.268 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 12.2 tt -77.53 -55.4 10.57 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.938 0 C-N-CA 118.679 -1.208 . . . . 0.0 111.969 177.64 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 22.1 m-85 -79.0 -56.14 4.61 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 121.334 0.587 . . . . 0.0 112.463 -176.766 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -59.87 -50.58 66.17 Favored Glycine 0 CA--C 1.501 -0.833 0 CA-C-N 115.028 -0.987 . . . . 0.0 113.112 -176.08 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 3.6 tp -63.31 -30.89 71.94 Favored 'General case' 0 N--CA 1.434 -1.266 0 CA-C-N 115.764 -0.218 . . . . 0.0 111.117 179.394 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.481 ' O ' ' HB2' ' A' ' 25' ' ' LEU . . . -65.4 -31.88 73.21 Favored 'General case' 0 C--O 1.2 -1.515 0 N-CA-C 109.837 -0.431 . . . . 0.0 109.837 175.961 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . 0.607 ' O ' ' HB3' ' A' ' 26' ' ' LEU . . . -67.76 -31.53 71.5 Favored 'General case' 0 C--O 1.207 -1.17 0 CA-C-O 121.321 0.582 . . . . 0.0 110.049 176.851 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -86.07 -43.88 12.74 Favored 'General case' 0 C--N 1.293 -1.886 0 C-N-CA 120.285 -0.566 . . . . 0.0 111.728 179.912 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -75.41 -54.41 7.1 Favored 'General case' 0 C--N 1.302 -1.461 0 CA-C-O 121.327 0.584 . . . . 0.0 111.942 -179.898 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.481 ' HB2' ' O ' ' A' ' 21' ' ' ALA . 83.2 mt -81.37 -34.93 31.39 Favored 'General case' 0 C--N 1.308 -1.216 0 N-CA-C 113.985 1.106 . . . . 0.0 113.985 -175.117 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.607 ' HB3' ' O ' ' A' ' 22' ' ' ALA . 41.3 tp -97.4 -20.02 18.07 Favored 'General case' 0 C--N 1.312 -1.045 0 N-CA-C 113.531 0.938 . . . . 0.0 113.531 -172.215 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.282 -2.33 0 CA-C-O 118.131 -0.938 . . . . 0.0 111.741 -176.537 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 28.8 mmt180 . . . . . 0 CA--C 1.493 -1.231 0 N-CA-C 108.987 -0.746 . . . . 0.0 108.987 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 64.2 t30 -87.61 86.47 7.2 Favored 'General case' 0 C--N 1.307 -1.255 0 CA-C-O 121.838 0.828 . . . . 0.0 110.73 -178.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 19.8 ttpt -107.48 131.19 54.58 Favored 'General case' 0 C--N 1.299 -1.588 0 N-CA-C 108.371 -0.974 . . . . 0.0 108.371 -179.472 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 46.8 tp -174.71 151.07 1.4 Allowed 'General case' 0 C--N 1.309 -1.179 0 N-CA-C 107.08 -1.452 . . . . 0.0 107.08 179.251 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -56.58 -29.31 61.92 Favored 'General case' 0 C--N 1.316 -0.849 0 C-N-CA 123.633 0.773 . . . . 0.0 111.881 178.69 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . 0.589 ' O ' ' HB3' ' A' ' 10' ' ' HIS . 97.3 m-85 -84.81 -18.64 34.3 Favored 'General case' 0 C--N 1.304 -1.401 0 CA-C-N 115.763 -0.653 . . . . 0.0 111.542 -178.802 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . 0.493 ' O ' ' HB2' ' A' ' 11' ' ' TYR . 81.3 m-20 -77.17 -59.5 2.75 Favored 'General case' 0 C--N 1.296 -1.75 0 CA-C-O 121.578 0.704 . . . . 0.0 109.322 174.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' MET . . . . . 0.482 ' HE1' ' HA ' ' A' ' 8' ' ' MET . 3.1 mmt -77.17 -61.48 1.97 Allowed 'General case' 0 C--N 1.304 -1.376 0 N-CA-C 113.861 1.06 . . . . 0.0 113.861 -178.127 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -67.6 -44.89 80.81 Favored Glycine 0 CA--C 1.505 -0.551 0 N-CA-C 114.555 0.582 . . . . 0.0 114.555 -175.126 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . 0.589 ' HB3' ' O ' ' A' ' 6' ' ' TYR . 30.9 t60 -65.62 -39.72 91.8 Favored 'General case' 0 C--N 1.311 -1.094 0 C-N-CA 120.638 -0.425 . . . . 0.0 110.353 -179.608 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . 0.493 ' HB2' ' O ' ' A' ' 7' ' ' ASN . 20.2 m-85 -68.29 -29.7 68.53 Favored 'General case' 0 CA--C 1.499 -0.996 0 N-CA-C 112.562 0.578 . . . . 0.0 112.562 176.112 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -57.77 -34.01 69.11 Favored 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 109.565 -0.531 . . . . 0.0 109.565 175.524 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . 0.415 ' O ' HG22 ' A' ' 17' ' ' ILE . . . -66.61 -51.52 41.21 Favored Glycine 0 N--CA 1.436 -1.32 0 C-N-CA 120.821 -0.704 . . . . 0.0 111.728 176.669 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.83 -35.72 75.01 Favored 'General case' 0 CA--C 1.497 -1.063 0 N-CA-C 112.461 0.541 . . . . 0.0 112.461 -176.004 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -71.43 -31.99 67.84 Favored 'General case' 0 C--N 1.305 -1.363 0 C-N-CA 120.631 -0.428 . . . . 0.0 111.214 -179.23 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 24.6 m -75.56 -40.61 56.47 Favored 'General case' 0 C--N 1.305 -1.332 0 C-N-CA 120.055 -0.658 . . . . 0.0 110.81 178.344 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . 0.415 HG22 ' O ' ' A' ' 13' ' ' GLY . 7.9 tp -77.41 -55.66 9.95 Favored 'Isoleucine or valine' 0 C--O 1.204 -1.301 0 C-N-CA 118.684 -1.206 . . . . 0.0 111.997 178.473 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 24.7 m-85 -78.88 -59.74 2.66 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 112.456 0.539 . . . . 0.0 112.456 -177.375 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -56.1 -52.2 50.78 Favored Glycine 0 N--CA 1.465 0.575 0 CA-C-N 115.559 -0.746 . . . . 0.0 112.451 -176.685 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 1.8 mp -63.24 -30.68 71.78 Favored 'General case' 0 C--N 1.309 -1.182 0 N-CA-C 113.279 0.844 . . . . 0.0 113.279 177.286 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.87 -27.51 69.39 Favored 'General case' 0 C--O 1.216 -0.703 0 CA-C-O 120.951 0.405 . . . . 0.0 110.637 177.324 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . 0.563 ' O ' ' HB3' ' A' ' 26' ' ' LEU . . . -71.44 -32.22 68.1 Favored 'General case' 0 C--N 1.308 -1.229 0 CA-C-O 121.101 0.477 . . . . 0.0 110.323 179.445 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' TRP . . . . . 0.508 ' O ' ' HB3' ' A' ' 27' ' ' ALA . 0.3 OUTLIER -90.7 -42.3 10.8 Favored 'General case' 0 N--CA 1.429 -1.52 0 C-N-CA 120.322 -0.551 . . . . 0.0 112.174 -179.781 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -75.99 -58.6 3.19 Favored 'General case' 0 C--N 1.303 -1.431 0 N-CA-C 112.356 0.502 . . . . 0.0 112.356 178.621 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 97.1 mt -81.84 -35.95 28.84 Favored 'General case' 0 C--N 1.315 -0.918 0 N-CA-C 114.724 1.379 . . . . 0.0 114.724 -174.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.563 ' HB3' ' O ' ' A' ' 22' ' ' ALA . 41.4 tp -90.28 -17.76 26.83 Favored 'General case' 0 C--N 1.31 -1.115 0 N-CA-C 112.659 0.615 . . . . 0.0 112.659 -173.773 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . 0.508 ' HB3' ' O ' ' A' ' 23' ' ' TRP . . . . . . . . 0 C--N 1.287 -2.11 0 CA-C-O 118.105 -0.95 . . . . 0.0 111.401 -178.378 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 58.1 mtp180 . . . . . 0 N--CA 1.472 0.668 0 CA-C-O 121.618 0.723 . . . . 0.0 110.928 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 27.9 p-10 -110.22 4.46 20.99 Favored 'General case' 0 C--N 1.308 -1.222 0 CA-C-N 115.416 -0.811 . . . . 0.0 109.513 -178.894 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 21.5 ttpt -65.57 127.01 30.13 Favored 'General case' 0 N--CA 1.444 -0.759 0 CA-C-N 115.829 -0.623 . . . . 0.0 109.648 -178.876 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 43.0 tp -163.78 164.41 23.66 Favored 'General case' 0 C--N 1.302 -1.459 0 N-CA-C 107.008 -1.479 . . . . 0.0 107.008 -177.005 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -58.6 -41.43 85.8 Favored 'General case' 0 C--N 1.314 -0.969 0 CA-C-O 121.487 0.661 . . . . 0.0 110.833 177.275 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . 0.485 ' O ' ' HB3' ' A' ' 10' ' ' HIS . 58.8 m-85 -75.74 -17.6 59.85 Favored 'General case' 0 C--N 1.301 -1.509 0 CA-C-N 115.906 -0.588 . . . . 0.0 112.308 178.482 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . 0.438 ' O ' ' HB2' ' A' ' 11' ' ' TYR . 14.8 t-20 -76.95 -62.31 1.69 Allowed 'General case' 0 C--N 1.304 -1.375 0 CA-C-O 121.188 0.518 . . . . 0.0 109.741 174.891 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 25.8 tpp -78.83 -61.51 1.99 Allowed 'General case' 0 C--N 1.31 -1.144 0 N-CA-C 114.306 1.224 . . . . 0.0 114.306 -178.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -65.15 -42.23 96.58 Favored Glycine 0 C--O 1.241 0.568 0 C-N-CA 121.417 -0.42 . . . . 0.0 113.691 -172.483 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . 0.485 ' HB3' ' O ' ' A' ' 6' ' ' TYR . 78.4 t60 -67.99 -45.19 74.8 Favored 'General case' 0 C--N 1.311 -1.073 0 N-CA-C 110.387 -0.227 . . . . 0.0 110.387 179.723 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . 0.438 ' HB2' ' O ' ' A' ' 7' ' ' ASN . 27.3 m-85 -66.93 -38.17 85.69 Favored 'General case' 0 C--O 1.197 -1.67 0 C-N-CA 120.308 -0.557 . . . . 0.0 111.825 177.496 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -56.3 -43.19 78.67 Favored 'General case' 0 CA--C 1.508 -0.669 0 O-C-N 123.219 0.324 . . . . 0.0 110.303 178.801 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . 0.461 ' O ' HG22 ' A' ' 17' ' ' ILE . . . -62.31 -48.62 81.18 Favored Glycine 0 N--CA 1.432 -1.568 0 CA-C-N 115.662 -0.699 . . . . 0.0 111.833 177.535 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.653 ' N ' ' HE2' ' A' ' 14' ' ' LYS . 0.6 OUTLIER -73.95 -37.3 64.58 Favored 'General case' 0 C--N 1.325 -0.475 0 C-N-CA 120.678 -0.409 . . . . 0.0 111.769 -175.583 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -69.28 -34.36 74.62 Favored 'General case' 0 C--O 1.207 -1.16 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.27 -178.431 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 24.5 m -75.31 -37.51 60.78 Favored 'General case' 0 C--N 1.303 -1.452 0 C-N-CA 119.929 -0.708 . . . . 0.0 111.058 179.75 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . 0.461 HG22 ' O ' ' A' ' 13' ' ' GLY . 11.0 tt -77.91 -55.15 11.01 Favored 'Isoleucine or valine' 0 N--CA 1.437 -1.107 0 C-N-CA 118.361 -1.336 . . . . 0.0 112.254 176.871 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 54.1 m-85 -79.33 -62.4 1.7 Allowed 'General case' 0 C--N 1.315 -0.932 0 N-CA-C 113.505 0.928 . . . . 0.0 113.505 -177.6 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -55.67 -47.87 75.0 Favored Glycine 0 CA--C 1.505 -0.569 0 CA-C-N 115.562 -0.744 . . . . 0.0 113.338 -177.369 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 1.9 tp -67.35 -30.61 70.46 Favored 'General case' 0 C--N 1.307 -1.278 0 C-N-CA 121.018 -0.273 . . . . 0.0 111.013 179.629 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -66.94 -26.37 66.81 Favored 'General case' 0 CA--C 1.507 -0.682 0 CA-C-O 121.061 0.457 . . . . 0.0 109.997 178.174 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . 0.535 ' O ' ' HB3' ' A' ' 26' ' ' LEU . . . -67.57 -31.97 72.41 Favored 'General case' 0 N--CA 1.437 -1.091 0 CA-C-N 116.073 -0.512 . . . . 0.0 109.841 177.086 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' TRP . . . . . 0.469 ' CE3' ' HA ' ' A' ' 23' ' ' TRP . 0.1 OUTLIER -90.83 -39.91 12.08 Favored 'General case' 0 N--CA 1.435 -1.211 0 C-N-CA 120.5 -0.48 . . . . 0.0 112.074 179.737 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -76.72 -60.93 2.14 Favored 'General case' 0 C--N 1.305 -1.326 0 CA-C-O 121.193 0.52 . . . . 0.0 112.396 178.652 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 7.3 mp -81.87 -31.56 31.5 Favored 'General case' 0 C--N 1.314 -0.972 0 N-CA-C 114.068 1.136 . . . . 0.0 114.068 -174.734 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.535 ' HB3' ' O ' ' A' ' 22' ' ' ALA . 29.2 tp -97.95 -17.51 19.17 Favored 'General case' 0 C--N 1.316 -0.87 0 N-CA-C 113.168 0.803 . . . . 0.0 113.168 -172.916 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.28 -2.433 0 N-CA-C 112.78 0.659 . . . . 0.0 112.78 -174.746 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 55.3 mtm180 . . . . . 0 C--O 1.242 0.674 0 N-CA-C 109.338 -0.616 . . . . 0.0 109.338 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 48.0 t-20 -158.92 122.44 3.82 Favored 'General case' 0 C--N 1.31 -1.122 0 N-CA-C 108.029 -1.1 . . . . 0.0 108.029 179.234 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 14.7 ttpt -94.62 97.85 10.4 Favored 'General case' 0 C--N 1.298 -1.64 0 N-CA-C 107.757 -1.201 . . . . 0.0 107.757 179.179 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 17.6 tp -143.85 159.72 42.04 Favored 'General case' 0 C--N 1.29 -2.009 0 CA-C-N 115.66 -0.7 . . . . 0.0 109.349 -172.383 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -62.16 -36.54 82.15 Favored 'General case' 0 C--O 1.218 -0.591 0 CA-C-O 121.464 0.649 . . . . 0.0 111.121 179.782 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . 0.6 ' O ' ' HB3' ' A' ' 10' ' ' HIS . 93.3 m-85 -78.2 -30.82 49.14 Favored 'General case' 0 C--N 1.303 -1.43 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.561 178.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . 0.429 ' O ' ' HB2' ' A' ' 11' ' ' TYR . 0.2 OUTLIER -76.18 -52.24 10.48 Favored 'General case' 0 C--N 1.294 -1.843 0 C-N-CA 119.586 -0.845 . . . . 0.0 109.586 -179.106 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' MET . . . . . 0.427 ' HA ' ' HE3' ' A' ' 8' ' ' MET . 0.1 OUTLIER -78.22 -61.93 1.84 Allowed 'General case' 0 C--N 1.302 -1.461 0 C-N-CA 119.766 -0.774 . . . . 0.0 112.933 179.366 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -71.14 -44.33 54.12 Favored Glycine 0 N--CA 1.461 0.358 0 N-CA-C 115.045 0.778 . . . . 0.0 115.045 -173.196 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . 0.6 ' HB3' ' O ' ' A' ' 6' ' ' TYR . 81.2 t60 -66.13 -39.74 90.12 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.247 0.546 . . . . 0.0 109.623 -178.154 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . 0.429 ' HB2' ' O ' ' A' ' 7' ' ' ASN . 24.3 m-85 -68.72 -37.13 79.25 Favored 'General case' 0 C--O 1.208 -1.101 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.652 175.189 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -56.13 -40.71 74.19 Favored 'General case' 0 CA--C 1.513 -0.45 0 O-C-N 123.549 0.531 . . . . 0.0 111.129 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -62.46 -43.45 99.01 Favored Glycine 0 N--CA 1.445 -0.762 0 C-N-CA 120.744 -0.741 . . . . 0.0 111.645 177.769 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 1.3 mptm? -74.65 -40.01 61.71 Favored 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 111.673 0.249 . . . . 0.0 111.673 -178.467 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -69.06 -30.17 68.45 Favored 'General case' 0 C--N 1.304 -1.401 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.674 -178.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 27.3 m -75.15 -38.03 61.13 Favored 'General case' 0 C--N 1.305 -1.36 0 C-N-CA 119.839 -0.744 . . . . 0.0 110.758 177.769 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 8.3 tp -78.32 -54.96 11.22 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.849 0 C-N-CA 118.2 -1.4 . . . . 0.0 111.945 177.031 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 35.0 m-85 -78.77 -54.41 6.12 Favored 'General case' 0 C--N 1.32 -0.687 0 N-CA-C 113.483 0.92 . . . . 0.0 113.483 -177.289 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -62.88 -51.41 55.84 Favored Glycine 0 CA--C 1.496 -1.136 0 CA-C-N 115.685 -0.689 . . . . 0.0 112.594 -176.087 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 3.8 tp -62.09 -30.53 71.06 Favored 'General case' 0 C--N 1.309 -1.156 0 O-C-N 123.681 0.283 . . . . 0.0 111.346 -179.48 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -61.75 -26.12 67.87 Favored 'General case' 0 C--O 1.214 -0.805 0 CA-C-O 120.756 0.312 . . . . 0.0 110.666 177.743 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . 0.609 ' O ' ' HB3' ' A' ' 26' ' ' LEU . . . -69.32 -31.54 70.07 Favored 'General case' 0 N--CA 1.443 -0.781 0 CA-C-O 121.132 0.491 . . . . 0.0 110.272 178.13 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' TRP . . . . . 0.435 ' O ' ' HB3' ' A' ' 27' ' ' ALA . 0.1 OUTLIER -90.24 -39.17 12.95 Favored 'General case' 0 C--N 1.3 -1.567 0 C-N-CA 120.418 -0.513 . . . . 0.0 111.696 179.837 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -76.57 -60.78 2.2 Favored 'General case' 0 C--N 1.306 -1.309 0 CA-C-O 121.697 0.761 . . . . 0.0 112.632 178.703 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 97.3 mt -81.21 -36.46 30.03 Favored 'General case' 0 C--N 1.303 -1.446 0 N-CA-C 113.742 1.015 . . . . 0.0 113.742 -175.058 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.609 ' HB3' ' O ' ' A' ' 22' ' ' ALA . 31.0 tp -90.26 -17.12 28.01 Favored 'General case' 0 C--N 1.32 -0.69 0 N-CA-C 112.944 0.72 . . . . 0.0 112.944 -172.327 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . 0.435 ' HB3' ' O ' ' A' ' 23' ' ' TRP . . . . . . . . 0 C--N 1.285 -2.206 0 CA-C-O 118.211 -0.9 . . . . 0.0 111.361 -178.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . 0.553 ' N ' ' HD2' ' A' ' 1' ' ' ARG . 0.3 OUTLIER . . . . . 0 CA--C 1.494 -1.197 0 N-CA-C 106.859 -1.534 . . . . 0.0 106.859 . . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 15.0 m120 -129.85 100.79 5.6 Favored 'General case' 0 C--N 1.301 -1.516 0 C-N-CA 120.423 -0.511 . . . . 0.0 110.439 -174.596 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 13.9 ttpt -80.17 101.46 8.83 Favored 'General case' 0 C--N 1.296 -1.756 0 N-CA-C 106.964 -1.495 . . . . 0.0 106.964 173.72 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 54.3 tp -147.68 153.62 39.56 Favored 'General case' 0 C--N 1.284 -2.258 0 N-CA-C 108.048 -1.093 . . . . 0.0 108.048 -177.497 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -56.09 -47.1 78.66 Favored 'General case' 0 C--N 1.311 -1.091 0 O-C-N 124.011 0.819 . . . . 0.0 111.162 177.929 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . 0.606 ' O ' ' HB3' ' A' ' 10' ' ' HIS . 90.5 m-85 -68.67 -30.21 68.85 Favored 'General case' 0 C--N 1.298 -1.652 0 CA-C-N 115.567 -0.742 . . . . 0.0 112.802 -179.75 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 62.0 t30 -77.54 -58.06 3.48 Favored 'General case' 0 C--N 1.301 -1.543 0 C-N-CA 119.362 -0.935 . . . . 0.0 109.829 177.879 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' MET . . . . . 0.479 ' HA ' ' HE3' ' A' ' 8' ' ' MET . 4.6 mmt -75.89 -60.67 2.22 Favored 'General case' 0 C--N 1.308 -1.228 0 N-CA-C 113.247 0.832 . . . . 0.0 113.247 -174.958 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -70.0 -42.88 67.22 Favored Glycine 0 N--CA 1.445 -0.734 0 C-N-CA 120.835 -0.698 . . . . 0.0 113.462 -174.419 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . 0.606 ' HB3' ' O ' ' A' ' 6' ' ' TYR . 48.5 t60 -67.33 -43.74 80.81 Favored 'General case' 0 CA--C 1.544 0.747 0 C-N-CA 120.645 -0.422 . . . . 0.0 111.807 -177.476 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 63.7 m-85 -73.3 -30.54 63.46 Favored 'General case' 0 N--CA 1.471 0.602 0 C-N-CA 120.445 -0.502 . . . . 0.0 112.1 177.168 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -56.13 -44.04 78.79 Favored 'General case' 0 CA--C 1.501 -0.917 0 O-C-N 123.233 0.333 . . . . 0.0 111.504 -177.635 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . 0.511 ' O ' HG23 ' A' ' 17' ' ' ILE . . . -64.21 -47.12 88.21 Favored Glycine 0 N--CA 1.435 -1.376 0 C-N-CA 120.148 -1.025 . . . . 0.0 111.74 178.631 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 13.4 mptt -74.84 -40.75 60.86 Favored 'General case' 0 C--N 1.321 -0.646 0 N-CA-C 113.02 0.748 . . . . 0.0 113.02 -172.825 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -70.08 -34.42 73.15 Favored 'General case' 0 C--N 1.306 -1.308 0 C-N-CA 120.875 -0.33 . . . . 0.0 111.081 -178.078 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 20.0 m -75.55 -39.6 57.98 Favored 'General case' 0 C--N 1.3 -1.549 0 C-N-CA 121.038 -0.265 . . . . 0.0 111.201 -179.36 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . 0.511 HG23 ' O ' ' A' ' 13' ' ' GLY . 9.3 tp -77.79 -54.95 11.56 Favored 'Isoleucine or valine' 0 C--O 1.206 -1.211 0 C-N-CA 118.496 -1.282 . . . . 0.0 111.592 177.812 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 26.3 m-85 -78.68 -61.3 2.05 Favored 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 113.385 0.883 . . . . 0.0 113.385 -176.152 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -58.69 -52.69 51.6 Favored Glycine 0 CA--C 1.502 -0.759 0 CA-C-N 115.702 -0.681 . . . . 0.0 112.289 -176.168 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 5.8 mp -61.02 -30.35 70.25 Favored 'General case' 0 CA--C 1.5 -0.961 0 N-CA-C 113.636 0.976 . . . . 0.0 113.636 177.52 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.443 ' HB2' ' O ' ' A' ' 17' ' ' ILE . . . -59.22 -26.1 64.58 Favored 'General case' 0 C--O 1.21 -1.025 0 C-N-CA 121.218 -0.193 . . . . 0.0 111.205 176.33 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . 0.576 ' O ' ' HB3' ' A' ' 26' ' ' LEU . . . -74.05 -34.06 63.93 Favored 'General case' 0 C--N 1.313 -0.982 0 C-N-CA 120.257 -0.577 . . . . 0.0 110.959 179.142 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' TRP . . . . . 0.502 ' O ' ' HB2' ' A' ' 27' ' ' ALA . 0.1 OUTLIER -91.13 -40.61 11.49 Favored 'General case' 0 C--O 1.204 -1.335 0 C-N-CA 119.542 -0.863 . . . . 0.0 112.176 -179.969 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -76.31 -58.32 3.35 Favored 'General case' 0 C--N 1.304 -1.411 0 CA-C-O 121.328 0.585 . . . . 0.0 112.474 177.541 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 20.4 tp -82.33 -34.8 28.38 Favored 'General case' 0 C--N 1.314 -0.942 0 N-CA-C 113.816 1.043 . . . . 0.0 113.816 -172.812 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.576 ' HB3' ' O ' ' A' ' 22' ' ' ALA . 50.3 tp -91.39 -17.14 26.29 Favored 'General case' 0 C--N 1.314 -0.956 0 N-CA-C 112.103 0.408 . . . . 0.0 112.103 -174.484 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . 0.502 ' HB2' ' O ' ' A' ' 23' ' ' TRP . . . . . . . . 0 C--N 1.283 -2.286 0 C-N-CA 120.245 -0.582 . . . . 0.0 111.435 -178.765 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 96.9 mtt180 . . . . . 0 CA--C 1.5 -0.962 0 N-CA-C 108.597 -0.89 . . . . 0.0 108.597 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 3.7 p-10 -145.69 177.01 9.21 Favored 'General case' 0 C--N 1.298 -1.653 0 N-CA-C 107.65 -1.241 . . . . 0.0 107.65 175.65 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . 0.418 ' HG2' ' N ' ' A' ' 4' ' ' LEU . 25.5 ttpt -119.06 161.82 19.63 Favored 'General case' 0 C--N 1.289 -2.036 0 N-CA-C 107.745 -1.205 . . . . 0.0 107.745 179.192 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.418 ' N ' ' HG2' ' A' ' 3' ' ' LYS . 20.4 tp -163.47 158.54 21.09 Favored 'General case' 0 C--N 1.304 -1.38 0 N-CA-C 105.736 -1.949 . . . . 0.0 105.736 178.959 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -68.84 -39.2 80.08 Favored 'General case' 0 C--N 1.311 -1.089 0 CA-C-N 118.172 0.442 . . . . 0.0 111.187 -177.894 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . 0.501 ' O ' ' HB3' ' A' ' 10' ' ' HIS . 86.6 m-85 -75.67 -19.14 59.36 Favored 'General case' 0 C--N 1.308 -1.237 0 CA-C-O 121.298 0.57 . . . . 0.0 111.379 176.186 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . 0.442 ' O ' ' HB2' ' A' ' 11' ' ' TYR . 22.5 t-20 -76.27 -61.17 2.03 Favored 'General case' 0 C--N 1.295 -1.765 0 CA-C-O 121.508 0.67 . . . . 0.0 109.974 174.87 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' MET . . . . . 0.401 ' HE2' ' HA ' ' A' ' 8' ' ' MET . 0.2 OUTLIER -76.99 -61.16 2.07 Favored 'General case' 0 C--N 1.301 -1.518 0 CA-C-N 115.583 -0.735 . . . . 0.0 112.494 -175.292 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -67.63 -43.18 86.35 Favored Glycine 0 CA--C 1.503 -0.696 0 CA-C-N 115.956 -0.566 . . . . 0.0 113.945 -173.244 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . 0.501 ' HB3' ' O ' ' A' ' 6' ' ' TYR . 37.6 t60 -67.49 -44.52 78.3 Favored 'General case' 0 C--N 1.32 -0.675 0 N-CA-C 109.739 -0.467 . . . . 0.0 109.739 -178.01 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . 0.442 ' HB2' ' O ' ' A' ' 7' ' ' ASN . 48.7 m-85 -69.67 -29.41 66.84 Favored 'General case' 0 CA--C 1.502 -0.879 0 N-CA-C 112.828 0.677 . . . . 0.0 112.828 178.303 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -59.24 -38.42 79.97 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.181 0.515 . . . . 0.0 109.982 176.324 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -72.66 -48.11 23.98 Favored Glycine 0 N--CA 1.435 -1.417 0 CA-C-N 115.621 -0.718 . . . . 0.0 111.566 177.064 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 6.6 mtpm? -65.48 -37.39 86.7 Favored 'General case' 0 C--N 1.317 -0.845 0 N-CA-C 113.905 1.076 . . . . 0.0 113.905 -175.545 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -72.71 -28.88 62.94 Favored 'General case' 0 C--N 1.305 -1.368 0 C-N-CA 120.857 -0.337 . . . . 0.0 110.458 178.427 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' THR . . . . . 0.438 ' O ' ' HB2' ' A' ' 20' ' ' LEU . 34.0 m -75.69 -41.07 54.75 Favored 'General case' 0 N--CA 1.433 -1.307 0 CA-C-O 120.856 0.36 . . . . 0.0 110.794 178.138 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 7.3 tp -77.24 -55.6 10.21 Favored 'Isoleucine or valine' 0 C--O 1.209 -1.054 0 C-N-CA 119.274 -0.971 . . . . 0.0 111.634 178.663 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 40.3 m-85 -78.79 -61.16 2.1 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 113.495 0.924 . . . . 0.0 113.495 -177.461 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -56.68 -52.38 50.88 Favored Glycine 0 CA--C 1.503 -0.656 0 CA-C-N 115.393 -0.821 . . . . 0.0 112.4 -176.439 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.438 ' HB2' ' O ' ' A' ' 16' ' ' THR . 4.5 mp -62.08 -31.71 72.17 Favored 'General case' 0 C--O 1.204 -1.31 0 N-CA-C 113.646 0.98 . . . . 0.0 113.646 177.026 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.52 ' O ' ' HB2' ' A' ' 25' ' ' LEU . . . -62.87 -31.5 72.56 Favored 'General case' 0 C--O 1.211 -0.96 0 CA-C-N 118.337 0.517 . . . . 0.0 110.336 177.054 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . 0.66 ' O ' ' HB3' ' A' ' 26' ' ' LEU . . . -72.64 -31.59 65.24 Favored 'General case' 0 C--N 1.303 -1.43 0 CA-C-O 120.979 0.419 . . . . 0.0 110.948 177.797 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' TRP . . . . . 0.416 ' O ' ' HB3' ' A' ' 27' ' ' ALA . 0.3 OUTLIER -89.78 -40.22 12.62 Favored 'General case' 0 C--O 1.191 -2.003 0 C-N-CA 118.833 -1.147 . . . . 0.0 111.632 -179.263 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -76.62 -52.99 8.64 Favored 'General case' 0 C--N 1.301 -1.542 0 N-CA-C 113.075 0.768 . . . . 0.0 113.075 178.488 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.52 ' HB2' ' O ' ' A' ' 21' ' ' ALA . 9.1 mp -81.86 -33.14 30.76 Favored 'General case' 0 C--N 1.318 -0.78 0 N-CA-C 114.397 1.258 . . . . 0.0 114.397 -176.247 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.66 ' HB3' ' O ' ' A' ' 22' ' ' ALA . 41.5 tp -95.76 -21.98 17.8 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 113.117 0.784 . . . . 0.0 113.117 -171.735 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . 0.416 ' HB3' ' O ' ' A' ' 23' ' ' TRP . . . . . . . . 0 C--N 1.282 -2.364 0 CA-C-O 118.364 -0.827 . . . . 0.0 111.608 -178.241 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 50.5 mtt180 . . . . . 0 CA--C 1.499 -0.993 0 N-CA-C 107.894 -1.15 . . . . 0.0 107.894 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 14.9 m120 -141.37 147.16 37.6 Favored 'General case' 0 CA--C 1.486 -1.516 0 CA-C-N 115.601 -0.727 . . . . 0.0 109.259 -175.081 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 19.2 ttpt -156.07 119.46 4.31 Favored 'General case' 0 N--CA 1.419 -2.021 0 N-CA-C 106.191 -1.781 . . . . 0.0 106.191 175.017 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 29.5 tp -153.17 153.45 32.77 Favored 'General case' 0 C--N 1.292 -1.924 0 N-CA-C 108.2 -1.037 . . . . 0.0 108.2 178.248 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -59.45 -38.76 81.57 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 121.598 0.713 . . . . 0.0 110.475 178.667 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . 0.463 ' O ' ' HB3' ' A' ' 10' ' ' HIS . 61.7 m-85 -82.51 -26.31 32.64 Favored 'General case' 0 C--N 1.302 -1.493 0 CA-C-N 115.422 -0.808 . . . . 0.0 112.543 -179.873 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . 0.448 ' O ' ' HB2' ' A' ' 11' ' ' TYR . 10.1 m120 -75.32 -56.17 4.98 Favored 'General case' 0 C--N 1.308 -1.227 0 C-N-CA 120.358 -0.537 . . . . 0.0 110.22 178.385 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' MET . . . . . 0.414 ' HE1' ' HA ' ' A' ' 8' ' ' MET . 0.2 OUTLIER -76.92 -61.34 2.01 Favored 'General case' 0 C--N 1.299 -1.59 0 CA-C-N 116.003 -0.544 . . . . 0.0 112.023 -178.685 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -71.06 -44.1 55.4 Favored Glycine 0 CA--C 1.5 -0.893 0 CA-C-N 115.686 -0.688 . . . . 0.0 114.44 -171.194 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . 0.463 ' HB3' ' O ' ' A' ' 6' ' ' TYR . 41.3 t60 -70.06 -39.16 75.83 Favored 'General case' 0 C--N 1.31 -1.136 0 C-N-CA 120.171 -0.611 . . . . 0.0 110.223 -176.118 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . 0.448 ' HB2' ' O ' ' A' ' 7' ' ' ASN . 42.9 m-85 -68.44 -28.65 67.25 Favored 'General case' 0 CA--C 1.5 -0.952 0 N-CA-C 112.529 0.566 . . . . 0.0 112.529 175.665 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -58.46 -37.93 76.48 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 109.805 -0.442 . . . . 0.0 109.805 176.563 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -75.18 -46.34 16.37 Favored Glycine 0 N--CA 1.442 -0.936 0 N-CA-C 111.257 -0.737 . . . . 0.0 111.257 177.037 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 1.2 mptm? -61.57 -41.35 97.26 Favored 'General case' 0 CA--C 1.511 -0.537 0 N-CA-C 113.401 0.889 . . . . 0.0 113.401 -178.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -71.61 -27.46 63.13 Favored 'General case' 0 C--N 1.303 -1.415 0 CA-C-O 120.662 0.268 . . . . 0.0 110.559 179.45 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 60.3 m -75.88 -38.96 57.34 Favored 'General case' 0 C--N 1.299 -1.59 0 C-N-CA 120.051 -0.66 . . . . 0.0 111.272 176.678 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -77.82 -54.78 11.85 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.978 0 C-N-CA 118.732 -1.187 . . . . 0.0 110.322 177.403 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 41.5 m-85 -78.55 -57.78 3.59 Favored 'General case' 0 C--N 1.314 -0.94 0 N-CA-C 113.308 0.855 . . . . 0.0 113.308 -177.248 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -59.51 -51.57 58.31 Favored Glycine 0 CA--C 1.503 -0.716 0 CA-C-N 115.791 -0.641 . . . . 0.0 112.454 -176.289 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 2.1 tp -61.51 -30.55 70.7 Favored 'General case' 0 C--N 1.313 -1.013 0 CA-C-O 119.705 -0.188 . . . . 0.0 111.235 179.828 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.15 -30.76 71.26 Favored 'General case' 0 C--O 1.219 -0.532 0 CA-C-N 117.928 0.331 . . . . 0.0 110.836 177.845 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . 0.63 ' O ' ' HB3' ' A' ' 26' ' ' LEU . . . -68.74 -31.72 70.99 Favored 'General case' 0 C--N 1.313 -1.0 0 CA-C-O 121.351 0.596 . . . . 0.0 110.129 178.719 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 0.5 OUTLIER -89.57 -40.07 12.86 Favored 'General case' 0 C--O 1.198 -1.647 0 C-N-CA 119.941 -0.703 . . . . 0.0 111.77 179.733 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -76.15 -58.51 3.24 Favored 'General case' 0 C--N 1.307 -1.276 0 CA-C-O 121.383 0.611 . . . . 0.0 112.48 179.876 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -81.79 -27.05 33.91 Favored 'General case' 0 C--N 1.313 -0.995 0 N-CA-C 114.957 1.466 . . . . 0.0 114.957 -175.042 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.63 ' HB3' ' O ' ' A' ' 22' ' ' ALA . 40.2 tp -98.57 -27.46 14.01 Favored 'General case' 0 C--N 1.315 -0.894 0 N-CA-C 112.353 0.501 . . . . 0.0 112.353 -175.23 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.287 -2.144 0 CA-C-O 118.583 -0.722 . . . . 0.0 112.256 -176.218 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 1.3 tmm_? . . . . . 0 N--CA 1.447 -0.603 0 N-CA-C 105.938 -1.875 . . . . 0.0 105.938 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 1.2 m-20 -122.07 161.08 23.68 Favored 'General case' 0 C--N 1.308 -1.203 0 N-CA-C 107.849 -1.167 . . . . 0.0 107.849 -173.431 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 14.9 ttpt -94.13 113.94 25.98 Favored 'General case' 0 C--N 1.299 -1.606 0 N-CA-C 107.727 -1.212 . . . . 0.0 107.727 175.941 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 51.5 tp -133.04 145.53 50.89 Favored 'General case' 0 C--N 1.285 -2.196 0 N-CA-C 109.335 -0.617 . . . . 0.0 109.335 -178.848 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -61.28 -33.94 74.38 Favored 'General case' 0 C--O 1.208 -1.11 0 C-N-CA 123.27 0.628 . . . . 0.0 111.692 -179.228 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . 0.551 ' O ' ' HB3' ' A' ' 10' ' ' HIS . 89.5 m-85 -73.01 -30.93 64.13 Favored 'General case' 0 C--N 1.296 -1.72 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.349 177.919 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 10.3 m120 -76.55 -61.48 1.95 Allowed 'General case' 0 C--N 1.304 -1.387 0 CA-C-O 121.349 0.595 . . . . 0.0 110.395 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 26.5 tpp -77.89 -61.67 1.92 Allowed 'General case' 0 C--O 1.201 -1.461 0 N-CA-C 113.221 0.823 . . . . 0.0 113.221 -179.649 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -61.71 -50.11 69.47 Favored Glycine 0 N--CA 1.468 0.797 0 N-CA-C 114.117 0.407 . . . . 0.0 114.117 -173.008 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . 0.551 ' HB3' ' O ' ' A' ' 6' ' ' TYR . 21.6 t60 -62.25 -43.58 98.5 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 120.573 0.225 . . . . 0.0 110.838 -177.743 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 39.4 m-85 -73.27 -35.06 66.13 Favored 'General case' 0 C--O 1.208 -1.129 0 N-CA-C 113.096 0.776 . . . . 0.0 113.096 177.937 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -56.59 -37.38 70.54 Favored 'General case' 0 C--O 1.218 -0.555 0 CA-C-O 120.546 0.212 . . . . 0.0 110.784 179.843 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -66.18 -46.57 78.77 Favored Glycine 0 N--CA 1.44 -1.037 0 C-N-CA 120.827 -0.702 . . . . 0.0 111.718 177.303 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 13.4 mptt -74.71 -38.51 62.31 Favored 'General case' 0 C--N 1.317 -0.822 0 N-CA-C 112.523 0.564 . . . . 0.0 112.523 -176.736 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -67.61 -31.23 71.11 Favored 'General case' 0 C--N 1.31 -1.122 0 CA-C-N 116.498 -0.319 . . . . 0.0 110.989 179.288 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' THR . . . . . 0.479 ' O ' ' HB2' ' A' ' 20' ' ' LEU . 91.6 m -74.7 -39.08 62.16 Favored 'General case' 0 N--CA 1.429 -1.499 0 C-N-CA 120.932 -0.307 . . . . 0.0 111.154 178.216 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 8.6 tp -77.2 -54.16 13.38 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.245 0 C-N-CA 118.319 -1.352 . . . . 0.0 111.358 178.48 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 33.2 m-85 -78.42 -62.41 1.69 Allowed 'General case' 0 C--N 1.314 -0.954 0 N-CA-C 113.507 0.928 . . . . 0.0 113.507 -177.683 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -58.55 -51.3 59.61 Favored Glycine 0 CA--C 1.499 -0.947 0 CA-C-N 115.543 -0.753 . . . . 0.0 112.678 -175.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.479 ' HB2' ' O ' ' A' ' 16' ' ' THR . 6.8 mp -62.33 -30.55 71.24 Favored 'General case' 0 C--O 1.197 -1.665 0 N-CA-C 113.406 0.891 . . . . 0.0 113.406 176.409 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.443 ' O ' ' HB2' ' A' ' 25' ' ' LEU . . . -64.36 -35.58 81.33 Favored 'General case' 0 C--N 1.302 -1.478 0 C-N-CA 119.647 -0.821 . . . . 0.0 110.051 174.803 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . 0.549 ' O ' ' HB3' ' A' ' 26' ' ' LEU . . . -74.78 -32.55 62.05 Favored 'General case' 0 C--N 1.306 -1.294 0 CA-C-O 121.437 0.637 . . . . 0.0 110.535 -179.681 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' TRP . . . . . 0.41 ' O ' ' HB2' ' A' ' 27' ' ' ALA . 0.5 OUTLIER -89.6 -49.82 6.44 Favored 'General case' 0 C--N 1.295 -1.793 0 N-CA-C 113.55 0.944 . . . . 0.0 113.55 -177.77 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -76.34 -52.24 10.33 Favored 'General case' 0 C--N 1.293 -1.87 0 CA-C-O 121.385 0.612 . . . . 0.0 111.532 -178.552 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.443 ' HB2' ' O ' ' A' ' 21' ' ' ALA . 98.6 mt -81.89 -34.82 29.79 Favored 'General case' 0 C--N 1.317 -0.814 0 N-CA-C 114.593 1.331 . . . . 0.0 114.593 -175.263 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.549 ' HB3' ' O ' ' A' ' 22' ' ' ALA . 40.8 tp -97.98 -22.49 16.26 Favored 'General case' 0 C--N 1.311 -1.067 0 N-CA-C 113.326 0.861 . . . . 0.0 113.326 -172.455 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . 0.41 ' HB2' ' O ' ' A' ' 23' ' ' TRP . . . . . . . . 0 C--N 1.279 -2.476 0 CA-C-O 118.965 -0.54 . . . . 0.0 111.779 -175.688 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 39.4 mmt180 . . . . . 0 CA--C 1.498 -1.049 0 N-CA-C 108.795 -0.817 . . . . 0.0 108.795 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 28.8 t-20 -74.23 108.31 6.94 Favored 'General case' 0 C--N 1.311 -1.068 0 N-CA-C 109.212 -0.662 . . . . 0.0 109.212 177.341 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -132.35 121.39 23.43 Favored 'General case' 0 N--CA 1.415 -2.214 0 N-CA-C 106.023 -1.843 . . . . 0.0 106.023 178.562 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 17.7 tp -164.85 162.77 21.08 Favored 'General case' 0 C--N 1.302 -1.46 0 N-CA-C 107.78 -1.193 . . . . 0.0 107.78 -171.662 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -58.45 -39.13 79.02 Favored 'General case' 0 C--N 1.309 -1.155 0 C-N-CA 123.215 0.606 . . . . 0.0 110.069 176.628 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . 0.553 ' O ' ' HB3' ' A' ' 10' ' ' HIS . 70.0 m-85 -78.4 -14.0 59.59 Favored 'General case' 0 C--N 1.305 -1.33 0 CA-C-N 115.443 -0.798 . . . . 0.0 112.14 178.308 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 23.1 t-20 -76.57 -61.35 1.99 Allowed 'General case' 0 C--N 1.31 -1.142 0 N-CA-C 108.623 -0.88 . . . . 0.0 108.623 175.511 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 32.5 tpp -77.56 -58.79 3.08 Favored 'General case' 0 C--O 1.208 -1.125 0 N-CA-C 113.299 0.851 . . . . 0.0 113.299 -179.557 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -61.69 -47.67 88.97 Favored Glycine 0 C--O 1.239 0.438 0 O-C-N 123.192 0.308 . . . . 0.0 113.761 -172.695 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . 0.553 ' HB3' ' O ' ' A' ' 6' ' ' TYR . 39.9 t60 -63.97 -40.95 97.56 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-O 121.025 0.44 . . . . 0.0 110.767 -178.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 22.4 m-85 -73.47 -32.22 64.2 Favored 'General case' 0 C--O 1.2 -1.531 0 N-CA-C 112.823 0.675 . . . . 0.0 112.823 176.722 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -55.77 -44.9 78.15 Favored 'General case' 0 C--O 1.216 -0.67 0 C-N-CA 122.625 0.37 . . . . 0.0 111.396 -176.914 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -68.56 -37.41 85.14 Favored Glycine 0 C--N 1.313 -0.729 0 C-N-CA 120.332 -0.937 . . . . 0.0 112.202 179.396 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.432 ' HD3' ' O ' ' A' ' 10' ' ' HIS . 13.5 mptt -76.21 -30.28 57.93 Favored 'General case' 0 C--N 1.314 -0.974 0 CA-C-O 121.161 0.505 . . . . 0.0 111.725 -179.096 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -70.28 -30.63 67.7 Favored 'General case' 0 C--N 1.304 -1.41 0 CA-C-N 115.929 -0.578 . . . . 0.0 111.094 179.482 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 8.0 m -72.31 -36.31 68.87 Favored 'General case' 0 C--N 1.303 -1.413 0 C-N-CA 120.268 -0.573 . . . . 0.0 110.318 177.883 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 8.2 tp -77.84 -54.48 12.39 Favored 'Isoleucine or valine' 0 C--O 1.21 -0.98 0 C-N-CA 118.861 -1.136 . . . . 0.0 111.292 176.8 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 41.1 m-85 -78.24 -62.25 1.74 Allowed 'General case' 0 C--N 1.32 -0.7 0 N-CA-C 113.965 1.098 . . . . 0.0 113.965 -178.131 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -58.03 -50.01 69.95 Favored Glycine 0 CA--C 1.501 -0.804 0 CA-C-N 115.816 -0.629 . . . . 0.0 112.9 -175.598 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 3.7 tp -64.24 -29.95 71.02 Favored 'General case' 0 N--CA 1.434 -1.255 0 CA-C-N 115.313 -0.444 . . . . 0.0 111.445 -178.836 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -58.34 -26.12 62.74 Favored 'General case' 0 C--O 1.214 -0.8 0 N-CA-C 111.744 0.275 . . . . 0.0 111.744 179.523 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . 0.551 ' O ' ' HB3' ' A' ' 26' ' ' LEU . . . -71.68 -33.32 68.73 Favored 'General case' 0 C--O 1.212 -0.879 0 CA-C-O 121.123 0.487 . . . . 0.0 110.217 -179.554 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 0.6 OUTLIER -90.86 -36.54 14.13 Favored 'General case' 0 C--N 1.305 -1.368 0 C-N-CA 120.174 -0.61 . . . . 0.0 112.171 178.571 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -76.36 -59.81 2.61 Favored 'General case' 0 C--N 1.309 -1.154 0 N-CA-C 112.407 0.521 . . . . 0.0 112.407 179.505 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 8.8 mp -81.95 -34.95 29.55 Favored 'General case' 0 C--N 1.311 -1.072 0 N-CA-C 114.162 1.171 . . . . 0.0 114.162 -175.636 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.551 ' HB3' ' O ' ' A' ' 22' ' ' ALA . 49.8 tp -93.4 -22.06 19.15 Favored 'General case' 0 C--N 1.318 -0.772 0 N-CA-C 113.365 0.876 . . . . 0.0 113.365 -172.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.279 -2.473 0 CA-C-O 118.517 -0.754 . . . . 0.0 111.961 -176.113 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 49.7 mtm180 . . . . . 0 CA--C 1.498 -1.038 0 N-CA-C 108.221 -1.029 . . . . 0.0 108.221 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 3.7 t-20 70.7 -71.95 0.12 Allowed 'General case' 0 N--CA 1.478 0.94 0 C-N-CA 124.596 1.158 . . . . 0.0 110.989 -178.931 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . 0.479 ' HZ3' ' HB3' ' A' ' 3' ' ' LYS . 0.6 OUTLIER -113.95 147.96 37.67 Favored 'General case' 0 C--N 1.286 -2.158 0 N-CA-C 108.227 -1.027 . . . . 0.0 108.227 -179.908 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 19.6 tp -142.45 147.26 35.83 Favored 'General case' 0 C--N 1.301 -1.515 0 N-CA-C 106.084 -1.821 . . . . 0.0 106.084 175.725 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -58.12 -41.93 84.68 Favored 'General case' 0 C--N 1.316 -0.868 0 CA-C-O 121.674 0.749 . . . . 0.0 112.032 -176.832 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . 0.519 ' O ' ' HB3' ' A' ' 10' ' ' HIS . 97.0 m-85 -77.18 -28.9 54.14 Favored 'General case' 0 C--N 1.296 -1.737 0 CA-C-N 115.44 -0.8 . . . . 0.0 111.631 -179.723 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 3.0 m-20 -76.11 -49.62 16.9 Favored 'General case' 0 C--N 1.293 -1.876 0 C-N-CA 119.995 -0.682 . . . . 0.0 110.812 -179.617 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' MET . . . . . 0.42 ' HA ' ' HE3' ' A' ' 8' ' ' MET . 0.0 OUTLIER -77.38 -62.24 1.72 Allowed 'General case' 0 C--N 1.304 -1.413 0 CA-C-N 116.035 -0.53 . . . . 0.0 112.305 179.662 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -73.2 -41.41 46.91 Favored Glycine 0 N--CA 1.445 -0.702 0 N-CA-C 114.984 0.754 . . . . 0.0 114.984 -172.728 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . 0.519 ' HB3' ' O ' ' A' ' 6' ' ' TYR . 56.3 t60 -70.87 -39.12 73.07 Favored 'General case' 0 C--N 1.317 -0.84 0 C-N-CA 119.779 -0.769 . . . . 0.0 110.599 -176.929 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 54.1 m-85 -70.42 -31.54 68.79 Favored 'General case' 0 CA--C 1.501 -0.919 0 C-N-CA 120.734 -0.386 . . . . 0.0 112.001 175.248 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -59.26 -33.32 70.9 Favored 'General case' 0 C--O 1.217 -0.612 0 CA-C-O 121.042 0.448 . . . . 0.0 110.517 178.209 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -73.62 -49.39 14.58 Favored Glycine 0 N--CA 1.435 -1.393 0 C-N-CA 120.322 -0.942 . . . . 0.0 111.203 176.271 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 1.2 mptm? -68.28 -39.61 82.09 Favored 'General case' 0 CA--C 1.506 -0.726 0 N-CA-C 113.724 1.009 . . . . 0.0 113.724 -175.816 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -70.32 -30.08 66.96 Favored 'General case' 0 C--N 1.308 -1.198 0 C-N-CA 120.837 -0.345 . . . . 0.0 110.808 -179.387 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 21.1 m -76.09 -36.2 59.02 Favored 'General case' 0 C--N 1.307 -1.245 0 C-N-CA 119.825 -0.75 . . . . 0.0 110.927 178.336 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 7.8 tp -78.16 -55.47 10.05 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.859 0 C-N-CA 118.518 -1.273 . . . . 0.0 112.375 176.698 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 27.5 m-85 -78.78 -62.53 1.66 Allowed 'General case' 0 C--N 1.321 -0.649 0 N-CA-C 112.917 0.71 . . . . 0.0 112.917 -177.628 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -54.77 -50.18 59.0 Favored Glycine 0 CA--C 1.5 -0.898 0 CA-C-N 115.77 -0.65 . . . . 0.0 113.554 -178.019 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 4.1 tp -64.71 -30.83 71.85 Favored 'General case' 0 C--N 1.31 -1.126 0 C-N-CA 120.893 -0.323 . . . . 0.0 111.662 -179.693 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.46 -25.9 68.23 Favored 'General case' 0 C--O 1.218 -0.603 0 CA-C-O 120.571 0.224 . . . . 0.0 110.77 178.484 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . 0.585 ' O ' ' HB3' ' A' ' 26' ' ' LEU . . . -69.63 -31.79 70.1 Favored 'General case' 0 C--O 1.21 -1.022 0 CA-C-O 121.024 0.44 . . . . 0.0 110.211 177.577 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -90.45 -40.7 11.88 Favored 'General case' 0 N--CA 1.43 -1.442 0 C-N-CA 119.661 -0.816 . . . . 0.0 111.518 -179.934 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -75.76 -60.13 2.45 Favored 'General case' 0 C--N 1.301 -1.505 0 CA-C-O 121.29 0.566 . . . . 0.0 111.963 179.755 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -81.81 -32.83 31.08 Favored 'General case' 0 C--N 1.309 -1.173 0 N-CA-C 114.49 1.293 . . . . 0.0 114.49 -174.743 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.585 ' HB3' ' O ' ' A' ' 22' ' ' ALA . 35.8 tp -93.35 -17.68 23.27 Favored 'General case' 0 C--N 1.32 -0.706 0 N-CA-C 112.89 0.7 . . . . 0.0 112.89 -173.491 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.284 -2.246 0 CA-C-O 119.073 -0.489 . . . . 0.0 111.034 -178.028 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 38.8 ttp180 . . . . . 0 C--O 1.239 0.552 0 CA-C-O 120.865 0.364 . . . . 0.0 110.472 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 46.5 t-20 -84.85 94.52 8.75 Favored 'General case' 0 C--N 1.313 -0.987 0 CA-C-O 122.101 0.953 . . . . 0.0 109.361 -177.287 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 18.7 ptmt -125.12 -177.76 3.97 Favored 'General case' 0 C--N 1.288 -2.108 0 CA-C-N 114.135 -1.393 . . . . 0.0 109.73 -176.817 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 19.7 tp -166.12 161.88 17.38 Favored 'General case' 0 C--N 1.296 -1.749 0 N-CA-C 104.227 -2.509 . . . . 0.0 104.227 177.74 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -63.71 -31.56 72.77 Favored 'General case' 0 C--N 1.304 -1.381 0 CA-C-O 121.776 0.798 . . . . 0.0 110.818 179.537 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . 0.559 ' O ' ' HB3' ' A' ' 10' ' ' HIS . 85.5 m-85 -85.15 -19.98 30.95 Favored 'General case' 0 C--N 1.307 -1.277 0 CA-C-N 115.527 -0.761 . . . . 0.0 111.548 177.331 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 22.7 t-20 -75.95 -60.22 2.42 Favored 'General case' 0 C--N 1.298 -1.665 0 CA-C-N 115.955 -0.566 . . . . 0.0 109.888 177.722 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' MET . . . . . 0.47 ' HA ' ' CE ' ' A' ' 8' ' ' MET . 1.7 mmt -77.29 -61.02 2.12 Favored 'General case' 0 C--N 1.303 -1.416 0 N-CA-C 113.756 1.021 . . . . 0.0 113.756 179.788 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -65.29 -49.46 61.3 Favored Glycine 0 C--N 1.318 -0.457 0 N-CA-C 114.528 0.571 . . . . 0.0 114.528 -174.161 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . 0.559 ' HB3' ' O ' ' A' ' 6' ' ' TYR . 76.3 t60 -64.29 -42.1 96.55 Favored 'General case' 0 C--N 1.314 -0.965 0 CA-C-O 120.824 0.345 . . . . 0.0 111.054 -177.478 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 32.9 m-85 -68.04 -35.53 78.4 Favored 'General case' 0 C--O 1.211 -0.938 0 C-N-CA 120.777 -0.369 . . . . 0.0 111.994 175.838 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -56.76 -41.59 77.85 Favored 'General case' 0 N--CA 1.468 0.452 0 CA-C-O 120.921 0.391 . . . . 0.0 110.553 179.021 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -64.95 -44.97 93.78 Favored Glycine 0 N--CA 1.437 -1.282 0 CA-C-N 115.646 -0.707 . . . . 0.0 112.526 178.562 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 1.5 mptm? -75.16 -37.95 61.1 Favored 'General case' 0 CA--C 1.503 -0.845 0 N-CA-C 112.526 0.565 . . . . 0.0 112.526 -176.708 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -67.6 -31.09 70.88 Favored 'General case' 0 C--N 1.31 -1.132 0 CA-C-N 116.54 -0.3 . . . . 0.0 111.586 -178.222 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 27.8 m -75.99 -38.96 56.83 Favored 'General case' 0 C--N 1.304 -1.391 0 C-N-CA 119.506 -0.878 . . . . 0.0 111.407 178.145 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 11.5 tt -77.62 -55.23 10.98 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.852 0 C-N-CA 118.65 -1.22 . . . . 0.0 111.748 178.705 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 41.1 m-85 -79.71 -62.4 1.7 Allowed 'General case' 0 C--N 1.319 -0.728 0 N-CA-C 113.465 0.913 . . . . 0.0 113.465 -178.526 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -54.51 -46.8 72.38 Favored Glycine 0 CA--C 1.501 -0.805 0 CA-C-N 115.383 -0.826 . . . . 0.0 113.637 -177.331 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 2.5 tp -66.33 -31.93 73.02 Favored 'General case' 0 N--CA 1.433 -1.295 0 C-N-CA 120.986 -0.286 . . . . 0.0 111.055 179.022 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -66.18 -28.58 68.87 Favored 'General case' 0 C--O 1.216 -0.702 0 CA-C-O 121.212 0.53 . . . . 0.0 109.973 177.371 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . 0.593 ' O ' ' HB3' ' A' ' 26' ' ' LEU . . . -71.13 -31.26 67.52 Favored 'General case' 0 C--N 1.311 -1.108 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.174 176.557 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' TRP . . . . . 0.478 ' O ' ' HB1' ' A' ' 27' ' ' ALA . 0.2 OUTLIER -89.26 -43.16 11.17 Favored 'General case' 0 C--N 1.299 -1.62 0 N-CA-C 112.258 0.466 . . . . 0.0 112.258 -178.677 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -77.09 -60.57 2.31 Favored 'General case' 0 C--N 1.297 -1.7 0 CA-C-O 121.422 0.63 . . . . 0.0 111.858 178.154 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 86.3 mt -81.6 -24.35 36.51 Favored 'General case' 0 C--N 1.314 -0.973 0 N-CA-C 114.753 1.39 . . . . 0.0 114.753 -172.621 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.593 ' HB3' ' O ' ' A' ' 22' ' ' ALA . 47.4 tp -101.85 -18.11 15.88 Favored 'General case' 0 C--N 1.317 -0.825 0 CA-C-O 121.072 0.463 . . . . 0.0 112.138 -176.276 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . 0.478 ' HB1' ' O ' ' A' ' 23' ' ' TRP . . . . . . . . 0 C--N 1.291 -1.944 0 CA-C-O 118.217 -0.897 . . . . 0.0 111.222 -177.831 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 67.3 mtm180 . . . . . 0 CA--C 1.497 -1.08 0 N-CA-C 107.501 -1.296 . . . . 0.0 107.501 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 4.3 t-20 -172.7 -35.56 0.01 OUTLIER 'General case' 0 N--CA 1.476 0.862 0 CA-C-O 121.561 0.696 . . . . 0.0 110.502 -178.205 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . 0.471 ' HG2' ' N ' ' A' ' 4' ' ' LEU . 23.5 ttpt -87.07 158.39 19.22 Favored 'General case' 0 C--N 1.297 -1.682 0 CA-C-N 115.324 -0.853 . . . . 0.0 110.679 -175.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.543 ' HB3' ' OD1' ' A' ' 7' ' ' ASN . 44.8 tp -163.16 166.01 23.87 Favored 'General case' 0 C--N 1.304 -1.395 0 N-CA-C 104.959 -2.237 . . . . 0.0 104.959 175.833 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -56.15 -38.85 71.41 Favored 'General case' 0 C--N 1.31 -1.122 0 O-C-N 123.997 0.811 . . . . 0.0 111.693 178.937 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . 0.485 ' O ' ' HB3' ' A' ' 10' ' ' HIS . 94.1 m-85 -74.19 -29.55 61.81 Favored 'General case' 0 C--N 1.308 -1.233 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.821 178.656 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . 0.543 ' OD1' ' HB3' ' A' ' 4' ' ' LEU . 14.3 m120 -71.21 -60.68 2.1 Favored 'General case' 0 C--N 1.299 -1.61 0 CA-C-N 116.398 -0.364 . . . . 0.0 110.709 -178.698 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 26.3 tpp -78.63 -61.58 1.96 Allowed 'General case' 0 C--N 1.301 -1.521 0 N-CA-C 113.45 0.907 . . . . 0.0 113.45 178.001 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -64.7 -47.91 78.26 Favored Glycine 0 N--CA 1.459 0.207 0 CA-C-N 115.896 -0.593 . . . . 0.0 114.496 -172.059 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . 0.485 ' HB3' ' O ' ' A' ' 6' ' ' TYR . 78.0 t60 -67.38 -43.4 81.47 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 120.866 0.365 . . . . 0.0 110.31 -178.527 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . 0.515 ' HB2' ' O ' ' A' ' 7' ' ' ASN . 24.9 m-85 -67.99 -28.84 67.77 Favored 'General case' 0 CA--C 1.491 -1.299 0 N-CA-C 113.081 0.771 . . . . 0.0 113.081 177.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -56.48 -37.64 70.62 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 120.867 0.365 . . . . 0.0 110.474 178.924 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -70.34 -45.78 52.95 Favored Glycine 0 N--CA 1.438 -1.175 0 C-N-CA 120.882 -0.675 . . . . 0.0 111.493 177.66 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.403 ' HD2' ' N ' ' A' ' 14' ' ' LYS . 0.5 OUTLIER -70.19 -32.81 70.91 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 112.126 0.417 . . . . 0.0 112.126 -178.38 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -70.55 -28.07 64.63 Favored 'General case' 0 C--O 1.203 -1.363 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.765 178.607 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' THR . . . . . 0.461 ' O ' ' HB2' ' A' ' 20' ' ' LEU . 28.0 m -74.87 -37.9 62.06 Favored 'General case' 0 C--N 1.309 -1.171 0 C-N-CA 120.386 -0.525 . . . . 0.0 109.693 177.333 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 7.7 tt -78.17 -56.36 7.76 Favored 'Isoleucine or valine' 0 C--O 1.207 -1.135 0 C-N-CA 118.302 -1.359 . . . . 0.0 111.85 177.17 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 52.2 m-85 -79.03 -53.27 7.19 Favored 'General case' 0 C--N 1.318 -0.763 0 N-CA-C 113.601 0.963 . . . . 0.0 113.601 -176.302 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -61.61 -52.61 49.81 Favored Glycine 0 CA--C 1.5 -0.87 0 CA-C-N 115.516 -0.765 . . . . 0.0 111.428 -177.224 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.461 ' HB2' ' O ' ' A' ' 16' ' ' THR . 2.5 mp -61.74 -30.85 71.05 Favored 'General case' 0 C--N 1.315 -0.912 0 N-CA-C 113.056 0.762 . . . . 0.0 113.056 177.575 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -59.44 -26.19 64.99 Favored 'General case' 0 C--O 1.214 -0.782 0 CA-C-O 120.527 0.203 . . . . 0.0 110.969 175.909 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . 0.652 ' O ' ' HB3' ' A' ' 26' ' ' LEU . . . -70.86 -31.73 68.52 Favored 'General case' 0 C--O 1.212 -0.914 0 CA-C-O 120.811 0.339 . . . . 0.0 111.17 177.014 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 0.8 OUTLIER -90.61 -40.79 11.72 Favored 'General case' 0 C--N 1.306 -1.283 0 C-N-CA 119.567 -0.853 . . . . 0.0 111.103 -179.693 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -75.6 -60.62 2.23 Favored 'General case' 0 C--N 1.308 -1.213 0 N-CA-C 112.6 0.593 . . . . 0.0 112.6 178.166 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 7.7 mp -82.18 -24.99 34.66 Favored 'General case' 0 C--N 1.312 -1.057 0 N-CA-C 114.923 1.453 . . . . 0.0 114.923 -173.863 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.652 ' HB3' ' O ' ' A' ' 22' ' ' ALA . 16.1 tp -101.33 -24.33 14.23 Favored 'General case' 0 C--N 1.318 -0.786 0 N-CA-C 113.013 0.746 . . . . 0.0 113.013 -173.062 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.275 -2.665 0 CA-C-N 115.65 -0.704 . . . . 0.0 112.474 -172.352 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 21.8 tp . . . . . 0 CA--C 1.509 -0.604 0 N-CA-C 107.361 -1.348 . . . . 0.0 107.361 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -59.35 -30.75 68.61 Favored 'General case' 0 C--N 1.317 -0.819 0 CA-C-O 121.919 0.866 . . . . 0.0 111.081 178.455 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 6' ' ' TYR . . . . . 0.508 ' O ' ' HB3' ' A' ' 10' ' ' HIS . 97.2 m-85 -83.95 -23.45 31.1 Favored 'General case' 0 C--N 1.311 -1.087 0 CA-C-N 115.379 -0.828 . . . . 0.0 110.969 178.38 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 7' ' ' ASN . . . . . 0.534 ' O ' ' HB2' ' A' ' 11' ' ' TYR . 22.2 t-20 -76.52 -61.05 2.09 Favored 'General case' 0 C--N 1.298 -1.664 0 CA-C-O 121.209 0.528 . . . . 0.0 110.49 177.263 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 8' ' ' MET . . . . . 0.445 ' HA ' ' CE ' ' A' ' 8' ' ' MET . 1.5 mmt -77.68 -61.52 1.97 Allowed 'General case' 0 C--N 1.302 -1.5 0 N-CA-C 113.735 1.013 . . . . 0.0 113.735 -178.276 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -63.57 -44.46 96.51 Favored Glycine 0 CA--C 1.503 -0.688 0 N-CA-C 114.174 0.43 . . . . 0.0 114.174 -175.227 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' HIS . . . . . 0.508 ' HB3' ' O ' ' A' ' 6' ' ' TYR . 25.6 t60 -68.69 -40.11 80.21 Favored 'General case' 0 C--N 1.315 -0.914 0 C-N-CA 120.388 -0.525 . . . . 0.0 110.32 -178.325 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 11' ' ' TYR . . . . . 0.534 ' HB2' ' O ' ' A' ' 7' ' ' ASN . 13.0 m-85 -67.25 -33.37 75.19 Favored 'General case' 0 CA--C 1.497 -1.094 0 N-CA-C 112.295 0.48 . . . . 0.0 112.295 175.773 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -58.03 -37.27 74.04 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 109.857 -0.423 . . . . 0.0 109.857 177.277 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' GLY . . . . . 0.401 ' O ' HG22 ' A' ' 17' ' ' ILE . . . -64.3 -48.09 78.02 Favored Glycine 0 N--CA 1.444 -0.791 0 N-CA-C 111.092 -0.803 . . . . 0.0 111.092 176.448 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.504 ' HE2' ' CE1' ' A' ' 10' ' ' HIS . 5.0 mptp? -63.78 -46.75 83.78 Favored 'General case' 0 CA--C 1.507 -0.674 0 CA-C-O 120.907 0.384 . . . . 0.0 111.406 -179.365 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -66.59 -32.66 74.14 Favored 'General case' 0 C--N 1.306 -1.309 0 CA-C-N 115.811 -0.631 . . . . 0.0 111.614 -177.417 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 26.5 m -75.9 -36.09 59.59 Favored 'General case' 0 C--N 1.311 -1.091 0 C-N-CA 119.635 -0.826 . . . . 0.0 110.977 178.466 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.401 HG22 ' O ' ' A' ' 13' ' ' GLY . 9.0 tp -78.36 -54.92 11.27 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.946 0 C-N-CA 118.514 -1.274 . . . . 0.0 111.63 177.794 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 18.5 m-85 -79.2 -60.7 2.27 Favored 'General case' 0 C--N 1.315 -0.935 0 N-CA-C 112.982 0.734 . . . . 0.0 112.982 -177.958 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -57.75 -51.43 58.09 Favored Glycine 0 CA--C 1.497 -1.059 0 CA-C-N 115.476 -0.783 . . . . 0.0 112.608 -175.493 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 3.7 tp -63.25 -30.68 71.78 Favored 'General case' 0 C--O 1.205 -1.266 0 CA-C-N 115.487 -0.357 . . . . 0.0 111.651 -179.25 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -60.94 -35.13 75.92 Favored 'General case' 0 C--O 1.214 -0.81 0 CA-C-O 121.02 0.438 . . . . 0.0 110.291 178.59 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -69.7 -31.68 69.84 Favored 'General case' 0 C--N 1.312 -1.039 0 CA-C-O 121.461 0.648 . . . . 0.0 110.592 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 0.5 OUTLIER -89.89 -44.55 9.85 Favored 'General case' 0 C--N 1.292 -1.927 0 N-CA-C 113.392 0.886 . . . . 0.0 113.392 -177.839 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.29 -2.007 0 CA-C-O 121.524 0.678 . . . . 0.0 111.981 -179.727 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 24.9 tp . . . . . 0 N--CA 1.438 -1.037 0 N-CA-C 109.611 -0.515 . . . . 0.0 109.611 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -54.85 -39.81 69.01 Favored 'General case' 0 CA--C 1.513 -0.463 0 C-N-CA 124.611 1.164 . . . . 0.0 112.143 -177.692 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 6' ' ' TYR . . . . . 0.508 ' O ' ' HB3' ' A' ' 10' ' ' HIS . 88.9 m-85 -80.46 -19.75 45.33 Favored 'General case' 0 C--N 1.295 -1.772 0 CA-C-N 115.874 -0.603 . . . . 0.0 112.354 179.474 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 7' ' ' ASN . . . . . 0.482 ' O ' ' HB2' ' A' ' 11' ' ' TYR . 10.2 m120 -76.83 -62.93 1.48 Allowed 'General case' 0 C--O 1.196 -1.751 0 C-N-CA 118.615 -1.234 . . . . 0.0 108.526 178.032 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 35.2 tpp -78.79 -60.89 2.2 Favored 'General case' 0 C--N 1.31 -1.114 0 N-CA-C 114.147 1.166 . . . . 0.0 114.147 -176.871 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -60.47 -45.64 95.86 Favored Glycine 0 CA--C 1.506 -0.476 0 CA-C-N 116.361 -0.382 . . . . 0.0 113.51 -174.924 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' HIS . . . . . 0.508 ' HB3' ' O ' ' A' ' 6' ' ' TYR . 70.4 t60 -66.77 -43.28 84.43 Favored 'General case' 0 C--N 1.31 -1.117 0 CA-C-O 120.608 0.242 . . . . 0.0 111.122 -179.349 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 11' ' ' TYR . . . . . 0.482 ' HB2' ' O ' ' A' ' 7' ' ' ASN . 9.0 m-85 -68.14 -32.32 72.52 Favored 'General case' 0 CA--C 1.498 -1.022 0 N-CA-C 112.74 0.645 . . . . 0.0 112.74 178.203 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -56.53 -43.52 79.93 Favored 'General case' 0 CA--C 1.512 -0.516 0 O-C-N 123.256 0.347 . . . . 0.0 110.489 179.797 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -62.85 -39.11 97.6 Favored Glycine 0 N--CA 1.446 -0.683 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.975 179.335 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 1.3 mptm? -75.1 -33.78 61.66 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-O 121.109 0.481 . . . . 0.0 111.585 -179.916 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -72.89 -27.53 61.95 Favored 'General case' 0 C--N 1.307 -1.263 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.522 -179.257 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 19.9 m -74.93 -39.29 61.46 Favored 'General case' 0 C--N 1.308 -1.214 0 C-N-CA 120.058 -0.657 . . . . 0.0 110.35 176.895 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 12.1 tt -76.85 -55.41 10.91 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.823 0 C-N-CA 118.79 -1.164 . . . . 0.0 111.375 178.627 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 32.9 m-85 -78.9 -61.93 1.86 Allowed 'General case' 0 C--N 1.317 -0.831 0 N-CA-C 113.161 0.8 . . . . 0.0 113.161 -178.171 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -55.43 -47.83 73.63 Favored Glycine 0 CA--C 1.502 -0.739 0 CA-C-N 115.264 -0.88 . . . . 0.0 113.53 -176.377 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 1.6 tp -67.62 -31.16 70.99 Favored 'General case' 0 C--N 1.309 -1.186 0 C-N-CA 120.603 -0.439 . . . . 0.0 111.255 179.82 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -67.11 -26.43 66.7 Favored 'General case' 0 C--O 1.214 -0.784 0 CA-C-O 121.026 0.441 . . . . 0.0 110.012 178.295 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -66.93 -31.29 71.78 Favored 'General case' 0 C--N 1.313 -0.983 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.011 176.716 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 0.4 OUTLIER -89.99 -41.32 11.8 Favored 'General case' 0 N--CA 1.426 -1.637 0 C-N-CA 119.077 -1.049 . . . . 0.0 111.626 179.457 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.308 -1.233 0 N-CA-C 112.918 0.711 . . . . 0.0 112.918 -179.52 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 30.9 tp . . . . . 0 N--CA 1.416 -2.132 0 N-CA-C 106.727 -1.583 . . . . 0.0 106.727 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -60.42 -34.88 74.58 Favored 'General case' 0 C--N 1.312 -1.024 0 CA-C-O 121.148 0.499 . . . . 0.0 111.1 -179.507 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 6' ' ' TYR . . . . . 0.55 ' O ' ' HB3' ' A' ' 10' ' ' HIS . 98.3 m-85 -77.38 -27.81 52.65 Favored 'General case' 0 C--N 1.296 -1.756 0 CA-C-N 115.895 -0.593 . . . . 0.0 111.865 179.9 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 86.9 m-20 -77.23 -61.82 1.86 Allowed 'General case' 0 C--N 1.311 -1.091 0 C-N-CA 119.877 -0.729 . . . . 0.0 109.836 177.893 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 70.5 mmm -77.8 -61.06 2.12 Favored 'General case' 0 C--N 1.31 -1.123 0 CA-C-N 115.255 -0.884 . . . . 0.0 113.081 -176.446 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -63.39 -45.71 94.35 Favored Glycine 0 N--CA 1.463 0.47 0 CA-C-N 116.116 -0.493 . . . . 0.0 114.049 -173.682 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' HIS . . . . . 0.55 ' HB3' ' O ' ' A' ' 6' ' ' TYR . 10.1 t60 -63.35 -40.11 96.39 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.999 0.428 . . . . 0.0 110.533 -179.083 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 18.5 m-85 -73.04 -33.27 65.6 Favored 'General case' 0 C--O 1.203 -1.359 0 N-CA-C 112.273 0.471 . . . . 0.0 112.273 176.288 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -55.83 -50.62 70.05 Favored 'General case' 0 CA--C 1.501 -0.914 0 O-C-N 123.398 0.436 . . . . 0.0 111.087 -178.695 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -60.85 -40.55 98.41 Favored Glycine 0 N--CA 1.445 -0.739 0 O-C-N 123.682 0.614 . . . . 0.0 111.996 179.861 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.54 ' HE3' ' N ' ' A' ' 14' ' ' LYS . 0.7 OUTLIER -75.25 -33.47 61.3 Favored 'General case' 0 N--CA 1.443 -0.816 0 CA-C-O 120.711 0.291 . . . . 0.0 111.328 -177.333 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -71.97 -31.46 66.3 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-N 116.411 -0.359 . . . . 0.0 111.386 179.672 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 26.1 m -73.8 -36.87 65.06 Favored 'General case' 0 C--N 1.301 -1.516 0 C-N-CA 120.31 -0.556 . . . . 0.0 110.433 177.766 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 13.6 tt -78.36 -55.22 10.57 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.17 0 C-N-CA 118.013 -1.475 . . . . 0.0 112.227 176.729 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 33.9 m-85 -78.81 -55.13 5.4 Favored 'General case' 0 C--N 1.321 -0.66 0 N-CA-C 113.54 0.941 . . . . 0.0 113.54 -176.579 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -62.22 -52.36 50.15 Favored Glycine 0 CA--C 1.495 -1.189 0 CA-C-N 115.844 -0.616 . . . . 0.0 112.484 -177.276 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 4.0 tp -60.29 -30.08 69.24 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 115.518 -0.341 . . . . 0.0 111.328 -179.833 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -54.02 -25.56 21.82 Favored 'General case' 0 C--O 1.207 -1.162 0 N-CA-C 112.183 0.438 . . . . 0.0 112.183 176.719 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -66.79 -36.18 81.81 Favored 'General case' 0 C--O 1.212 -0.894 0 CA-C-O 121.026 0.441 . . . . 0.0 110.584 178.576 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -91.39 -35.72 14.23 Favored 'General case' 0 C--N 1.305 -1.327 0 CA-C-O 121.287 0.565 . . . . 0.0 111.845 179.898 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.307 -1.279 0 CA-C-N 115.652 -0.704 . . . . 0.0 112.782 179.29 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 24.0 tp . . . . . 0 CA--C 1.494 -1.191 0 N-CA-C 105.595 -2.002 . . . . 0.0 105.595 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -61.98 -35.03 77.28 Favored 'General case' 0 C--N 1.303 -1.425 0 CA-C-O 121.78 0.8 . . . . 0.0 110.76 177.071 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 6' ' ' TYR . . . . . 0.512 ' O ' ' HB3' ' A' ' 10' ' ' HIS . 96.1 m-85 -78.58 -25.23 45.25 Favored 'General case' 0 C--N 1.304 -1.392 0 CA-C-N 115.568 -0.742 . . . . 0.0 110.948 178.179 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 7' ' ' ASN . . . . . 0.498 ' O ' ' HB2' ' A' ' 11' ' ' TYR . 26.5 t-20 -76.22 -61.74 1.84 Allowed 'General case' 0 C--N 1.303 -1.433 0 CA-C-N 115.637 -0.711 . . . . 0.0 109.68 179.606 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 8' ' ' MET . . . . . 0.514 ' HA ' ' CE ' ' A' ' 8' ' ' MET . 3.3 mmt -78.53 -61.57 1.96 Allowed 'General case' 0 C--N 1.306 -1.315 0 N-CA-C 114.909 1.448 . . . . 0.0 114.909 -179.326 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -65.77 -46.55 82.37 Favored Glycine 0 C--O 1.247 0.951 0 C-N-CA 121.532 -0.366 . . . . 0.0 114.005 -173.387 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' HIS . . . . . 0.512 ' HB3' ' O ' ' A' ' 6' ' ' TYR . 58.8 t60 -64.34 -41.81 96.58 Favored 'General case' 0 C--N 1.321 -0.662 0 N-CA-C 110.11 -0.33 . . . . 0.0 110.11 -178.892 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 11' ' ' TYR . . . . . 0.498 ' HB2' ' O ' ' A' ' 7' ' ' ASN . 16.5 m-85 -71.0 -33.73 70.67 Favored 'General case' 0 C--O 1.214 -0.805 0 N-CA-C 113.048 0.759 . . . . 0.0 113.048 177.146 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -60.26 -45.87 91.78 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-O 120.872 0.368 . . . . 0.0 110.289 178.627 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -68.93 -41.62 81.5 Favored Glycine 0 N--CA 1.442 -0.954 0 N-CA-C 110.813 -0.915 . . . . 0.0 110.813 177.836 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 12.4 mptt -60.24 -42.19 94.74 Favored 'General case' 0 C--N 1.323 -0.553 0 C-N-CA 123.285 0.634 . . . . 0.0 111.914 178.747 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -70.91 -27.28 63.66 Favored 'General case' 0 C--N 1.303 -1.416 0 CA-C-O 120.975 0.417 . . . . 0.0 110.963 179.03 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' THR . . . . . 0.503 ' O ' ' HB2' ' A' ' 20' ' ' LEU . 42.3 m -74.4 -38.52 63.08 Favored 'General case' 0 N--CA 1.435 -1.225 0 N-CA-C 109.772 -0.455 . . . . 0.0 109.772 177.612 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 7.8 tp -77.53 -54.25 13.0 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.061 0 C-N-CA 119.071 -1.051 . . . . 0.0 111.43 176.776 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 50.3 m-85 -78.44 -62.75 1.58 Allowed 'General case' 0 C--N 1.319 -0.731 0 N-CA-C 114.165 1.172 . . . . 0.0 114.165 -177.484 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -56.91 -49.11 73.6 Favored Glycine 0 CA--C 1.504 -0.596 0 O-C-N 123.271 0.357 . . . . 0.0 112.457 -177.711 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.503 ' HB2' ' O ' ' A' ' 16' ' ' THR . 4.1 mp -63.29 -30.93 71.98 Favored 'General case' 0 C--O 1.209 -1.077 0 N-CA-C 113.86 1.059 . . . . 0.0 113.86 176.77 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.26 -30.97 71.49 Favored 'General case' 0 C--O 1.214 -0.79 0 CA-C-N 118.165 0.438 . . . . 0.0 110.478 176.277 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -72.04 -31.43 66.16 Favored 'General case' 0 C--N 1.306 -1.321 0 CA-C-O 120.732 0.301 . . . . 0.0 110.796 177.976 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' TRP . . . . . 0.448 ' CE3' ' HA ' ' A' ' 23' ' ' TRP . 1.4 t-105 -89.75 -42.97 11.0 Favored 'General case' 0 C--N 1.295 -1.766 0 C-N-CA 119.093 -1.043 . . . . 0.0 111.356 -179.333 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.302 -1.495 0 N-CA-C 112.656 0.613 . . . . 0.0 112.656 179.569 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 36.9 tp . . . . . 0 N--CA 1.434 -1.251 0 N-CA-C 106.311 -1.737 . . . . 0.0 106.311 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -58.26 -44.46 88.39 Favored 'General case' 0 C--N 1.315 -0.91 0 C-N-CA 123.331 0.653 . . . . 0.0 110.38 177.357 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 6' ' ' TYR . . . . . 0.558 ' O ' ' HB3' ' A' ' 10' ' ' HIS . 79.8 m-85 -75.16 -20.68 59.23 Favored 'General case' 0 C--N 1.304 -1.383 0 CA-C-N 115.3 -0.863 . . . . 0.0 112.132 178.807 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 7' ' ' ASN . . . . . 0.473 ' O ' ' HB2' ' A' ' 11' ' ' TYR . 28.5 t-20 -75.14 -58.92 2.98 Favored 'General case' 0 C--N 1.304 -1.394 0 CA-C-O 121.684 0.754 . . . . 0.0 109.372 178.215 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 8' ' ' MET . . . . . 0.458 ' HA ' ' CE ' ' A' ' 8' ' ' MET . 3.6 mmt -77.2 -57.17 3.98 Favored 'General case' 0 C--N 1.3 -1.575 0 N-CA-C 113.872 1.064 . . . . 0.0 113.872 -179.374 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -72.24 -46.76 32.99 Favored Glycine 0 C--O 1.24 0.524 0 C-N-CA 121.534 -0.365 . . . . 0.0 113.871 -172.412 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' HIS . . . . . 0.558 ' HB3' ' O ' ' A' ' 6' ' ' TYR . 81.6 t60 -67.8 -43.18 80.28 Favored 'General case' 0 C--N 1.314 -0.947 0 CA-C-O 121.079 0.466 . . . . 0.0 110.579 -177.366 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 11' ' ' TYR . . . . . 0.473 ' HB2' ' O ' ' A' ' 7' ' ' ASN . 59.5 m-85 -69.14 -28.73 66.71 Favored 'General case' 0 C--O 1.199 -1.567 0 C-N-CA 120.51 -0.476 . . . . 0.0 111.97 176.508 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -56.76 -42.97 80.31 Favored 'General case' 0 N--CA 1.467 0.385 0 CA-C-N 117.994 0.361 . . . . 0.0 110.586 177.06 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -71.8 -46.5 37.7 Favored Glycine 0 N--CA 1.44 -1.076 0 C-N-CA 120.367 -0.921 . . . . 0.0 111.788 178.521 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 12.6 mptt -71.06 -31.55 68.0 Favored 'General case' 0 C--N 1.318 -0.769 0 N-CA-C 113.113 0.782 . . . . 0.0 113.113 -175.566 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -75.09 -28.98 60.49 Favored 'General case' 0 C--O 1.202 -1.42 0 C-N-CA 120.988 -0.285 . . . . 0.0 110.357 178.044 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 29.7 m -76.16 -37.62 57.7 Favored 'General case' 0 C--N 1.304 -1.372 0 C-N-CA 119.99 -0.684 . . . . 0.0 111.109 178.436 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 9.0 tp -77.8 -55.16 11.04 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.95 0 C-N-CA 118.615 -1.234 . . . . 0.0 111.254 176.982 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 40.5 m-85 -79.34 -61.94 1.85 Allowed 'General case' 0 C--N 1.322 -0.621 0 N-CA-C 113.829 1.048 . . . . 0.0 113.829 -178.274 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -55.71 -47.78 75.83 Favored Glycine 0 CA--C 1.503 -0.714 0 CA-C-N 115.607 -0.724 . . . . 0.0 113.465 -176.964 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 4.4 tp -65.16 -30.68 71.62 Favored 'General case' 0 N--CA 1.428 -1.526 0 CA-C-N 115.817 -0.191 . . . . 0.0 111.076 -178.811 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -60.93 -28.33 68.86 Favored 'General case' 0 C--O 1.22 -0.448 0 CA-C-O 121.141 0.496 . . . . 0.0 110.698 177.458 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -74.5 -31.85 62.32 Favored 'General case' 0 C--N 1.313 -0.994 0 CA-C-O 121.223 0.535 . . . . 0.0 110.572 178.522 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 0.4 OUTLIER -89.87 -46.21 8.71 Favored 'General case' 0 C--N 1.296 -1.732 0 N-CA-C 112.557 0.577 . . . . 0.0 112.557 -178.521 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.293 -1.874 0 CA-C-O 121.341 0.591 . . . . 0.0 111.992 -179.44 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 36.2 tp . . . . . 0 N--CA 1.438 -1.051 0 N-CA-C 105.697 -1.964 . . . . 0.0 105.697 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -62.73 -34.73 77.78 Favored 'General case' 0 C--N 1.31 -1.125 0 CA-C-O 121.92 0.867 . . . . 0.0 110.439 177.431 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 6' ' ' TYR . . . . . 0.639 ' O ' ' HB3' ' A' ' 10' ' ' HIS . 76.8 m-85 -80.41 -17.0 53.11 Favored 'General case' 0 C--N 1.305 -1.356 0 CA-C-N 115.328 -0.851 . . . . 0.0 111.584 176.363 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 7' ' ' ASN . . . . . 0.499 ' O ' ' HB2' ' A' ' 11' ' ' TYR . 26.1 t-20 -77.54 -60.85 2.2 Favored 'General case' 0 C--N 1.294 -1.841 0 CA-C-O 121.532 0.682 . . . . 0.0 109.403 175.3 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 8' ' ' MET . . . . . 0.456 ' HA ' ' CE ' ' A' ' 8' ' ' MET . 2.8 mmt -76.4 -61.9 1.8 Allowed 'General case' 0 C--O 1.207 -1.162 0 N-CA-C 113.009 0.744 . . . . 0.0 113.009 -176.438 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -62.19 -46.13 94.59 Favored Glycine 0 C--O 1.238 0.376 0 N-CA-C 114.234 0.454 . . . . 0.0 114.234 -175.797 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' HIS . . . . . 0.639 ' HB3' ' O ' ' A' ' 6' ' ' TYR . 44.3 t60 -65.93 -42.94 89.44 Favored 'General case' 0 C--N 1.316 -0.867 0 CA-C-O 120.367 0.127 . . . . 0.0 110.99 -178.801 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 11' ' ' TYR . . . . . 0.499 ' HB2' ' O ' ' A' ' 7' ' ' ASN . 35.2 m-85 -73.04 -35.18 66.68 Favored 'General case' 0 CA--C 1.496 -1.128 0 N-CA-C 112.877 0.695 . . . . 0.0 112.877 177.579 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -59.27 -42.05 90.29 Favored 'General case' 0 CA--C 1.508 -0.64 0 N-CA-C 109.628 -0.508 . . . . 0.0 109.628 177.58 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -63.13 -47.42 88.46 Favored Glycine 0 N--CA 1.443 -0.87 0 C-N-CA 120.753 -0.737 . . . . 0.0 111.619 177.509 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 12.5 mptt -68.4 -39.07 81.78 Favored 'General case' 0 CA--C 1.507 -0.694 0 N-CA-C 112.645 0.609 . . . . 0.0 112.645 -177.92 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -72.97 -32.29 65.11 Favored 'General case' 0 C--N 1.301 -1.509 0 CA-C-N 116.601 -0.272 . . . . 0.0 110.977 179.679 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' THR . . . . . 0.408 HG23 HD22 ' A' ' 20' ' ' LEU . 43.6 m -75.97 -37.28 58.74 Favored 'General case' 0 C--N 1.303 -1.435 0 C-N-CA 120.317 -0.553 . . . . 0.0 111.544 177.662 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 10.6 tp -77.04 -54.66 12.56 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.924 0 C-N-CA 118.628 -1.229 . . . . 0.0 111.371 178.565 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 53.1 m-85 -79.18 -61.16 2.1 Favored 'General case' 0 C--N 1.318 -0.794 0 N-CA-C 113.964 1.098 . . . . 0.0 113.964 -179.543 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -57.75 -52.72 50.39 Favored Glycine 0 CA--C 1.501 -0.798 0 CA-C-N 115.571 -0.741 . . . . 0.0 113.096 -175.489 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.408 HD22 HG23 ' A' ' 16' ' ' THR . 2.3 tp -61.71 -29.88 70.39 Favored 'General case' 0 C--N 1.309 -1.169 0 N-CA-C 111.517 0.191 . . . . 0.0 111.517 -179.884 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -60.39 -29.69 69.11 Favored 'General case' 0 C--N 1.35 0.589 0 CA-C-O 120.761 0.315 . . . . 0.0 110.862 178.713 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -70.61 -31.61 68.64 Favored 'General case' 0 C--N 1.315 -0.894 0 CA-C-O 121.168 0.509 . . . . 0.0 110.765 178.02 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 0.8 OUTLIER -90.75 -40.6 11.73 Favored 'General case' 0 C--N 1.301 -1.542 0 C-N-CA 119.541 -0.864 . . . . 0.0 111.772 -178.923 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.388 0 CA-C-O 121.333 0.587 . . . . 0.0 111.905 179.623 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 35.3 tp . . . . . 0 C--O 1.241 0.658 0 N-CA-C 106.526 -1.657 . . . . 0.0 106.526 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -61.17 -41.98 97.74 Favored 'General case' 0 CA--C 1.513 -0.466 0 N-CA-C 112.349 0.5 . . . . 0.0 112.349 -175.83 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 6' ' ' TYR . . . . . 0.58 ' O ' ' HB3' ' A' ' 10' ' ' HIS . 92.0 m-85 -79.28 -22.95 43.97 Favored 'General case' 0 C--N 1.3 -1.545 0 C-N-CA 120.528 -0.469 . . . . 0.0 111.162 178.739 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 7' ' ' ASN . . . . . 0.466 ' O ' ' HB2' ' A' ' 11' ' ' TYR . 51.1 t-20 -75.54 -61.61 1.85 Allowed 'General case' 0 C--N 1.297 -1.691 0 C-N-CA 120.143 -0.623 . . . . 0.0 109.367 -179.847 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -77.6 -50.77 11.84 Favored 'General case' 0 C--N 1.297 -1.68 0 CA-C-N 115.828 -0.624 . . . . 0.0 112.192 -176.803 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -74.15 -45.82 24.03 Favored Glycine 0 N--CA 1.447 -0.587 0 N-CA-C 114.425 0.53 . . . . 0.0 114.425 -173.293 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' HIS . . . . . 0.58 ' HB3' ' O ' ' A' ' 6' ' ' TYR . 60.7 t60 -67.23 -36.46 81.73 Favored 'General case' 0 C--N 1.312 -1.034 0 CA-C-O 121.001 0.429 . . . . 0.0 110.087 -178.466 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 11' ' ' TYR . . . . . 0.466 ' HB2' ' O ' ' A' ' 7' ' ' ASN . 25.8 m-85 -72.61 -29.67 63.68 Favored 'General case' 0 N--CA 1.442 -0.841 0 N-CA-C 112.393 0.516 . . . . 0.0 112.393 174.945 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -62.38 -46.13 90.03 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 109.2 -0.667 . . . . 0.0 109.2 175.756 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -63.86 -45.85 93.16 Favored Glycine 0 C--N 1.321 -0.29 0 N-CA-C 111.104 -0.798 . . . . 0.0 111.104 177.391 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.407 ' HB2' ' HA ' ' A' ' 11' ' ' TYR . 9.9 mptt -56.32 -51.44 68.23 Favored 'General case' 0 C--N 1.325 -0.466 0 C-N-CA 124.036 0.935 . . . . 0.0 111.046 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -70.62 -27.62 64.22 Favored 'General case' 0 C--O 1.208 -1.085 0 CA-C-N 115.612 -0.722 . . . . 0.0 111.614 -177.586 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' THR . . . . . 0.519 ' O ' ' HB2' ' A' ' 20' ' ' LEU . 91.2 m -75.16 -39.54 60.29 Favored 'General case' 0 C--N 1.304 -1.397 0 C-N-CA 120.45 -0.5 . . . . 0.0 110.774 177.86 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 8.3 tp -77.75 -54.27 12.83 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.381 0 C-N-CA 118.44 -1.304 . . . . 0.0 111.805 177.836 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 40.7 m-85 -79.02 -62.04 1.82 Allowed 'General case' 0 C--N 1.318 -0.764 0 N-CA-C 113.465 0.913 . . . . 0.0 113.465 -178.139 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -56.52 -47.44 83.94 Favored Glycine 0 CA--C 1.502 -0.73 0 CA-C-N 116.253 -0.43 . . . . 0.0 113.142 -177.449 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.519 ' HB2' ' O ' ' A' ' 16' ' ' THR . 4.1 mp -65.0 -32.18 73.77 Favored 'General case' 0 C--O 1.2 -1.539 0 N-CA-C 113.081 0.771 . . . . 0.0 113.081 176.366 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -65.4 -26.71 68.11 Favored 'General case' 0 C--O 1.208 -1.102 0 CA-C-N 118.086 0.403 . . . . 0.0 110.474 175.98 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -72.63 -32.65 66.07 Favored 'General case' 0 C--N 1.308 -1.22 0 C-N-CA 120.402 -0.519 . . . . 0.0 110.105 177.766 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 0.3 OUTLIER -91.0 -42.44 10.54 Favored 'General case' 0 C--O 1.205 -1.275 0 N-CA-C 113.392 0.886 . . . . 0.0 113.392 -179.448 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.297 -1.687 0 N-CA-C 112.521 0.563 . . . . 0.0 112.521 178.521 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.427 ' HG ' ' H ' ' A' ' 6' ' ' TYR . 56.2 tp . . . . . 0 N--CA 1.426 -1.664 0 N-CA-C 106.991 -1.485 . . . . 0.0 106.991 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -53.69 -38.54 64.31 Favored 'General case' 0 C--N 1.316 -0.863 0 O-C-N 123.907 0.755 . . . . 0.0 111.059 175.495 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 6' ' ' TYR . . . . . 0.475 ' O ' ' HB3' ' A' ' 10' ' ' HIS . 71.0 m-85 -76.96 -23.19 52.37 Favored 'General case' 0 C--N 1.315 -0.906 0 CA-C-N 115.893 -0.594 . . . . 0.0 112.009 177.498 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 7' ' ' ASN . . . . . 0.527 ' O ' ' HB2' ' A' ' 11' ' ' TYR . 26.6 t-20 -75.62 -57.22 4.01 Favored 'General case' 0 C--O 1.198 -1.657 0 CA-C-O 121.597 0.713 . . . . 0.0 109.612 178.011 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 8' ' ' MET . . . . . 0.487 ' HA ' ' CE ' ' A' ' 8' ' ' MET . 3.0 mmt -77.34 -60.51 2.34 Favored 'General case' 0 C--N 1.29 -1.983 0 N-CA-C 112.97 0.73 . . . . 0.0 112.97 -178.775 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -69.22 -46.18 58.59 Favored Glycine 0 N--CA 1.443 -0.859 0 CA-C-N 115.76 -0.655 . . . . 0.0 113.984 -173.525 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' HIS . . . . . 0.475 ' HB3' ' O ' ' A' ' 6' ' ' TYR . 72.1 t60 -72.07 -39.9 68.69 Favored 'General case' 0 C--N 1.314 -0.944 0 C-N-CA 120.217 -0.593 . . . . 0.0 111.757 -176.826 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 11' ' ' TYR . . . . . 0.527 ' HB2' ' O ' ' A' ' 7' ' ' ASN . 26.9 m-85 -63.95 -32.07 73.47 Favored 'General case' 0 CA--C 1.491 -1.323 0 C-N-CA 120.593 -0.443 . . . . 0.0 111.454 175.704 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -56.23 -37.77 70.17 Favored 'General case' 0 C--O 1.224 -0.242 0 O-C-N 123.5 0.5 . . . . 0.0 110.499 178.732 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -70.13 -47.81 43.07 Favored Glycine 0 N--CA 1.443 -0.873 0 C-N-CA 120.549 -0.834 . . . . 0.0 111.61 177.518 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -68.94 -32.67 72.43 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 112.35 0.5 . . . . 0.0 112.35 -178.003 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -74.91 -28.5 60.65 Favored 'General case' 0 C--N 1.304 -1.386 0 CA-C-N 116.645 -0.252 . . . . 0.0 110.741 178.296 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 45.6 m -75.48 -38.27 59.65 Favored 'General case' 0 C--N 1.306 -1.311 0 C-N-CA 119.938 -0.705 . . . . 0.0 110.804 176.797 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 7.2 tp -77.44 -56.04 8.93 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.086 0 C-N-CA 118.601 -1.24 . . . . 0.0 111.489 177.469 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 32.5 m-85 -78.59 -53.64 6.98 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 113.537 0.94 . . . . 0.0 113.537 -177.504 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -63.54 -51.87 50.85 Favored Glycine 0 CA--C 1.501 -0.783 0 CA-C-N 115.694 -0.684 . . . . 0.0 112.401 -175.964 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 3.2 tp -60.15 -30.14 69.11 Favored 'General case' 0 C--N 1.316 -0.866 0 CA-C-O 119.735 -0.174 . . . . 0.0 111.227 -179.836 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -59.87 -31.26 69.61 Favored 'General case' 0 C--O 1.214 -0.811 0 CA-C-O 120.727 0.299 . . . . 0.0 110.606 176.774 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -72.44 -31.46 65.48 Favored 'General case' 0 C--O 1.21 -1.0 0 CA-C-O 120.871 0.367 . . . . 0.0 110.728 178.969 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -90.17 -42.85 10.82 Favored 'General case' 0 C--N 1.299 -1.597 0 C-N-CA 120.23 -0.588 . . . . 0.0 112.331 -178.281 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.307 -1.245 0 CA-C-O 121.574 0.702 . . . . 0.0 112.053 179.416 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 22.2 tp . . . . . 0 N--CA 1.421 -1.891 0 N-CA-C 106.871 -1.529 . . . . 0.0 106.871 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -63.88 -28.6 69.95 Favored 'General case' 0 C--O 1.216 -0.682 0 O-C-N 124.096 0.873 . . . . 0.0 111.177 -178.494 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 6' ' ' TYR . . . . . 0.579 ' O ' ' HB3' ' A' ' 10' ' ' HIS . 98.7 m-85 -78.66 -29.16 45.56 Favored 'General case' 0 C--N 1.299 -1.588 0 CA-C-N 115.656 -0.702 . . . . 0.0 111.035 178.846 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 7' ' ' ASN . . . . . 0.453 ' O ' ' HB2' ' A' ' 11' ' ' TYR . 56.1 t30 -76.57 -60.45 2.34 Favored 'General case' 0 C--N 1.306 -1.287 0 CA-C-O 121.054 0.454 . . . . 0.0 110.006 179.067 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 8' ' ' MET . . . . . 0.494 ' HA ' ' CE ' ' A' ' 8' ' ' MET . 6.0 mmt -77.24 -61.11 2.09 Favored 'General case' 0 C--N 1.315 -0.894 0 N-CA-C 114.75 1.389 . . . . 0.0 114.75 -179.932 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -63.36 -46.59 92.41 Favored Glycine 0 CA--C 1.505 -0.539 0 N-CA-C 114.742 0.657 . . . . 0.0 114.742 -174.868 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' HIS . . . . . 0.579 ' HB3' ' O ' ' A' ' 6' ' ' TYR . 43.1 t60 -66.58 -40.58 88.99 Favored 'General case' 0 C--N 1.312 -1.043 0 CA-C-O 120.753 0.311 . . . . 0.0 110.452 -177.823 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 11' ' ' TYR . . . . . 0.453 ' HB2' ' O ' ' A' ' 7' ' ' ASN . 49.0 m-85 -73.18 -28.6 62.3 Favored 'General case' 0 CA--C 1.506 -0.747 0 N-CA-C 113.485 0.92 . . . . 0.0 113.485 177.583 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -55.94 -43.16 77.18 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.011 0.434 . . . . 0.0 110.578 177.784 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -74.9 -42.03 31.58 Favored Glycine 0 N--CA 1.441 -1.004 0 C-N-CA 120.408 -0.901 . . . . 0.0 111.459 178.211 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 13.2 mptt -66.55 -36.43 82.65 Favored 'General case' 0 C--N 1.319 -0.757 0 N-CA-C 113.571 0.952 . . . . 0.0 113.571 -177.184 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -71.8 -28.1 63.38 Favored 'General case' 0 C--O 1.199 -1.576 0 C-N-CA 120.58 -0.448 . . . . 0.0 110.111 177.665 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 18.8 m -75.64 -40.9 55.45 Favored 'General case' 0 C--N 1.305 -1.355 0 C-N-CA 119.981 -0.688 . . . . 0.0 111.442 177.268 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 12.2 tt -77.53 -55.4 10.57 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.938 0 C-N-CA 118.679 -1.208 . . . . 0.0 111.969 177.64 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 22.1 m-85 -79.0 -56.14 4.61 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 121.334 0.587 . . . . 0.0 112.463 -176.766 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -59.87 -50.58 66.17 Favored Glycine 0 CA--C 1.501 -0.833 0 CA-C-N 115.028 -0.987 . . . . 0.0 113.112 -176.08 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 3.6 tp -63.31 -30.89 71.94 Favored 'General case' 0 N--CA 1.434 -1.266 0 CA-C-N 115.764 -0.218 . . . . 0.0 111.117 179.394 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -65.4 -31.88 73.21 Favored 'General case' 0 C--O 1.2 -1.515 0 N-CA-C 109.837 -0.431 . . . . 0.0 109.837 175.961 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -67.76 -31.53 71.5 Favored 'General case' 0 C--O 1.207 -1.17 0 CA-C-O 121.321 0.582 . . . . 0.0 110.049 176.851 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -86.07 -43.88 12.74 Favored 'General case' 0 C--N 1.293 -1.886 0 C-N-CA 120.285 -0.566 . . . . 0.0 111.728 179.912 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.302 -1.461 0 CA-C-O 121.327 0.584 . . . . 0.0 111.942 -179.898 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.409 ' HG ' ' H ' ' A' ' 6' ' ' TYR . 46.8 tp . . . . . 0 N--CA 1.442 -0.847 0 N-CA-C 107.08 -1.452 . . . . 0.0 107.08 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -56.58 -29.31 61.92 Favored 'General case' 0 C--N 1.316 -0.849 0 C-N-CA 123.633 0.773 . . . . 0.0 111.881 178.69 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 6' ' ' TYR . . . . . 0.603 ' O ' ' HB3' ' A' ' 10' ' ' HIS . 97.3 m-85 -84.81 -18.64 34.3 Favored 'General case' 0 C--N 1.304 -1.401 0 CA-C-N 115.763 -0.653 . . . . 0.0 111.542 -178.802 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 7' ' ' ASN . . . . . 0.486 ' O ' ' HB2' ' A' ' 11' ' ' TYR . 81.3 m-20 -77.17 -59.5 2.75 Favored 'General case' 0 C--N 1.296 -1.75 0 CA-C-O 121.578 0.704 . . . . 0.0 109.322 174.979 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 8' ' ' MET . . . . . 0.462 ' HA ' ' CE ' ' A' ' 8' ' ' MET . 3.1 mmt -77.17 -61.48 1.97 Allowed 'General case' 0 C--N 1.304 -1.376 0 N-CA-C 113.861 1.06 . . . . 0.0 113.861 -178.127 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -67.6 -44.89 80.81 Favored Glycine 0 CA--C 1.505 -0.551 0 N-CA-C 114.555 0.582 . . . . 0.0 114.555 -175.126 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' HIS . . . . . 0.603 ' HB3' ' O ' ' A' ' 6' ' ' TYR . 12.0 t-80 -65.62 -39.72 91.8 Favored 'General case' 0 C--N 1.311 -1.094 0 C-N-CA 120.638 -0.425 . . . . 0.0 110.353 -179.608 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 11' ' ' TYR . . . . . 0.486 ' HB2' ' O ' ' A' ' 7' ' ' ASN . 20.2 m-85 -68.29 -29.7 68.53 Favored 'General case' 0 CA--C 1.499 -0.996 0 N-CA-C 112.562 0.578 . . . . 0.0 112.562 176.112 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -57.77 -34.01 69.11 Favored 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 109.565 -0.531 . . . . 0.0 109.565 175.524 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' GLY . . . . . 0.418 ' O ' HG22 ' A' ' 17' ' ' ILE . . . -66.61 -51.52 41.21 Favored Glycine 0 N--CA 1.436 -1.32 0 C-N-CA 120.821 -0.704 . . . . 0.0 111.728 176.669 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.83 -35.72 75.01 Favored 'General case' 0 CA--C 1.497 -1.063 0 N-CA-C 112.461 0.541 . . . . 0.0 112.461 -176.004 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -71.43 -31.99 67.84 Favored 'General case' 0 C--N 1.305 -1.363 0 C-N-CA 120.631 -0.428 . . . . 0.0 111.214 -179.23 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' THR . . . . . 0.409 ' O ' ' HB2' ' A' ' 20' ' ' LEU . 24.6 m -75.56 -40.61 56.47 Favored 'General case' 0 C--N 1.305 -1.332 0 C-N-CA 120.055 -0.658 . . . . 0.0 110.81 178.344 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.418 HG22 ' O ' ' A' ' 13' ' ' GLY . 7.9 tp -77.41 -55.66 9.95 Favored 'Isoleucine or valine' 0 C--O 1.204 -1.301 0 C-N-CA 118.684 -1.206 . . . . 0.0 111.997 178.473 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 24.7 m-85 -78.88 -59.74 2.66 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 112.456 0.539 . . . . 0.0 112.456 -177.375 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -56.1 -52.2 50.78 Favored Glycine 0 N--CA 1.465 0.575 0 CA-C-N 115.559 -0.746 . . . . 0.0 112.451 -176.685 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.409 ' HB2' ' O ' ' A' ' 16' ' ' THR . 1.8 mp -63.24 -30.68 71.78 Favored 'General case' 0 C--N 1.309 -1.182 0 N-CA-C 113.279 0.844 . . . . 0.0 113.279 177.286 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.87 -27.51 69.39 Favored 'General case' 0 C--O 1.216 -0.703 0 CA-C-O 120.951 0.405 . . . . 0.0 110.637 177.324 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -71.44 -32.22 68.1 Favored 'General case' 0 C--N 1.308 -1.229 0 CA-C-O 121.101 0.477 . . . . 0.0 110.323 179.445 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 0.3 OUTLIER -90.7 -42.3 10.8 Favored 'General case' 0 N--CA 1.429 -1.52 0 C-N-CA 120.322 -0.551 . . . . 0.0 112.174 -179.781 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.303 -1.431 0 N-CA-C 112.356 0.502 . . . . 0.0 112.356 178.621 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 43.0 tp . . . . . 0 N--CA 1.439 -0.998 0 N-CA-C 107.008 -1.479 . . . . 0.0 107.008 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -58.6 -41.43 85.8 Favored 'General case' 0 C--N 1.314 -0.969 0 CA-C-O 121.487 0.661 . . . . 0.0 110.833 177.275 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 6' ' ' TYR . . . . . 0.492 ' O ' ' HB3' ' A' ' 10' ' ' HIS . 58.8 m-85 -75.74 -17.6 59.85 Favored 'General case' 0 C--N 1.301 -1.509 0 CA-C-N 115.906 -0.588 . . . . 0.0 112.308 178.482 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 7' ' ' ASN . . . . . 0.438 ' O ' ' HB2' ' A' ' 11' ' ' TYR . 14.8 t-20 -76.95 -62.31 1.69 Allowed 'General case' 0 C--N 1.304 -1.375 0 CA-C-O 121.188 0.518 . . . . 0.0 109.741 174.891 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 25.8 tpp -78.83 -61.51 1.99 Allowed 'General case' 0 C--N 1.31 -1.144 0 N-CA-C 114.306 1.224 . . . . 0.0 114.306 -178.977 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -65.15 -42.23 96.58 Favored Glycine 0 C--O 1.241 0.568 0 C-N-CA 121.417 -0.42 . . . . 0.0 113.691 -172.483 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 10' ' ' HIS . . . . . 0.492 ' HB3' ' O ' ' A' ' 6' ' ' TYR . 78.4 t60 -67.99 -45.19 74.8 Favored 'General case' 0 C--N 1.311 -1.073 0 N-CA-C 110.387 -0.227 . . . . 0.0 110.387 179.723 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 11' ' ' TYR . . . . . 0.438 ' HB2' ' O ' ' A' ' 7' ' ' ASN . 27.3 m-85 -66.93 -38.17 85.69 Favored 'General case' 0 C--O 1.197 -1.67 0 C-N-CA 120.308 -0.557 . . . . 0.0 111.825 177.496 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -56.3 -43.19 78.67 Favored 'General case' 0 CA--C 1.508 -0.669 0 O-C-N 123.219 0.324 . . . . 0.0 110.303 178.801 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' GLY . . . . . 0.472 ' O ' HG22 ' A' ' 17' ' ' ILE . . . -62.31 -48.62 81.18 Favored Glycine 0 N--CA 1.432 -1.568 0 CA-C-N 115.662 -0.699 . . . . 0.0 111.833 177.535 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.659 ' N ' ' HE2' ' A' ' 14' ' ' LYS . 0.6 OUTLIER -73.95 -37.3 64.58 Favored 'General case' 0 C--N 1.325 -0.475 0 C-N-CA 120.678 -0.409 . . . . 0.0 111.769 -175.583 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -69.28 -34.36 74.62 Favored 'General case' 0 C--O 1.207 -1.16 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.27 -178.431 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 24.5 m -75.31 -37.51 60.78 Favored 'General case' 0 C--N 1.303 -1.452 0 C-N-CA 119.929 -0.708 . . . . 0.0 111.058 179.75 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.472 HG22 ' O ' ' A' ' 13' ' ' GLY . 11.0 tt -77.91 -55.15 11.01 Favored 'Isoleucine or valine' 0 N--CA 1.437 -1.107 0 C-N-CA 118.361 -1.336 . . . . 0.0 112.254 176.871 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 54.1 m-85 -79.33 -62.4 1.7 Allowed 'General case' 0 C--N 1.315 -0.932 0 N-CA-C 113.505 0.928 . . . . 0.0 113.505 -177.6 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -55.67 -47.87 75.0 Favored Glycine 0 CA--C 1.505 -0.569 0 CA-C-N 115.562 -0.744 . . . . 0.0 113.338 -177.369 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 1.9 tp -67.35 -30.61 70.46 Favored 'General case' 0 C--N 1.307 -1.278 0 C-N-CA 121.018 -0.273 . . . . 0.0 111.013 179.629 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -66.94 -26.37 66.81 Favored 'General case' 0 CA--C 1.507 -0.682 0 CA-C-O 121.061 0.457 . . . . 0.0 109.997 178.174 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -67.57 -31.97 72.41 Favored 'General case' 0 N--CA 1.437 -1.091 0 CA-C-N 116.073 -0.512 . . . . 0.0 109.841 177.086 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' TRP . . . . . 0.483 ' CE3' ' HA ' ' A' ' 23' ' ' TRP . 0.1 OUTLIER -90.83 -39.91 12.08 Favored 'General case' 0 N--CA 1.435 -1.211 0 C-N-CA 120.5 -0.48 . . . . 0.0 112.074 179.737 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.326 0 CA-C-O 121.193 0.52 . . . . 0.0 112.396 178.652 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 17.6 tp . . . . . 0 N--CA 1.432 -1.327 0 N-CA-C 109.349 -0.612 . . . . 0.0 109.349 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -62.16 -36.54 82.15 Favored 'General case' 0 C--O 1.218 -0.591 0 CA-C-O 121.464 0.649 . . . . 0.0 111.121 179.782 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 6' ' ' TYR . . . . . 0.617 ' O ' ' HB3' ' A' ' 10' ' ' HIS . 93.3 m-85 -78.2 -30.82 49.14 Favored 'General case' 0 C--N 1.303 -1.43 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.561 178.969 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 7' ' ' ASN . . . . . 0.429 ' O ' ' HB2' ' A' ' 11' ' ' TYR . 38.6 t-20 -76.18 -52.24 10.48 Favored 'General case' 0 C--N 1.294 -1.843 0 C-N-CA 119.586 -0.845 . . . . 0.0 109.586 -179.106 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 8' ' ' MET . . . . . 0.4 ' CE ' ' HA ' ' A' ' 8' ' ' MET . 0.1 OUTLIER -78.22 -61.93 1.84 Allowed 'General case' 0 C--N 1.302 -1.461 0 C-N-CA 119.766 -0.774 . . . . 0.0 112.933 179.366 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -71.14 -44.33 54.12 Favored Glycine 0 N--CA 1.461 0.358 0 N-CA-C 115.045 0.778 . . . . 0.0 115.045 -173.196 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 10' ' ' HIS . . . . . 0.617 ' HB3' ' O ' ' A' ' 6' ' ' TYR . 81.2 t60 -66.13 -39.74 90.12 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.247 0.546 . . . . 0.0 109.623 -178.154 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 11' ' ' TYR . . . . . 0.429 ' HB2' ' O ' ' A' ' 7' ' ' ASN . 24.3 m-85 -68.72 -37.13 79.25 Favored 'General case' 0 C--O 1.208 -1.101 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.652 175.189 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -56.13 -40.71 74.19 Favored 'General case' 0 CA--C 1.513 -0.45 0 O-C-N 123.549 0.531 . . . . 0.0 111.129 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -62.46 -43.45 99.01 Favored Glycine 0 N--CA 1.445 -0.762 0 C-N-CA 120.744 -0.741 . . . . 0.0 111.645 177.769 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 1.3 mptm? -74.65 -40.01 61.71 Favored 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 111.673 0.249 . . . . 0.0 111.673 -178.467 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -69.06 -30.17 68.45 Favored 'General case' 0 C--N 1.304 -1.401 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.674 -178.955 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 27.3 m -75.15 -38.03 61.13 Favored 'General case' 0 C--N 1.305 -1.36 0 C-N-CA 119.839 -0.744 . . . . 0.0 110.758 177.769 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 8.3 tp -78.32 -54.96 11.22 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.849 0 C-N-CA 118.2 -1.4 . . . . 0.0 111.945 177.031 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 35.0 m-85 -78.77 -54.41 6.12 Favored 'General case' 0 C--N 1.32 -0.687 0 N-CA-C 113.483 0.92 . . . . 0.0 113.483 -177.289 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -62.88 -51.41 55.84 Favored Glycine 0 CA--C 1.496 -1.136 0 CA-C-N 115.685 -0.689 . . . . 0.0 112.594 -176.087 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 3.8 tp -62.09 -30.53 71.06 Favored 'General case' 0 C--N 1.309 -1.156 0 O-C-N 123.681 0.283 . . . . 0.0 111.346 -179.48 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -61.75 -26.12 67.87 Favored 'General case' 0 C--O 1.214 -0.805 0 CA-C-O 120.756 0.312 . . . . 0.0 110.666 177.743 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -69.32 -31.54 70.07 Favored 'General case' 0 N--CA 1.443 -0.781 0 CA-C-O 121.132 0.491 . . . . 0.0 110.272 178.13 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -90.24 -39.17 12.95 Favored 'General case' 0 C--N 1.3 -1.567 0 C-N-CA 120.418 -0.513 . . . . 0.0 111.696 179.837 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.309 0 CA-C-O 121.697 0.761 . . . . 0.0 112.632 178.703 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 54.3 tp . . . . . 0 N--CA 1.437 -1.121 0 N-CA-C 108.048 -1.093 . . . . 0.0 108.048 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -56.09 -47.1 78.66 Favored 'General case' 0 C--N 1.311 -1.091 0 O-C-N 124.011 0.819 . . . . 0.0 111.162 177.929 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 6' ' ' TYR . . . . . 0.615 ' O ' ' HB3' ' A' ' 10' ' ' HIS . 90.5 m-85 -68.67 -30.21 68.85 Favored 'General case' 0 C--N 1.298 -1.652 0 CA-C-N 115.567 -0.742 . . . . 0.0 112.802 -179.75 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 62.0 t30 -77.54 -58.06 3.48 Favored 'General case' 0 C--N 1.301 -1.543 0 C-N-CA 119.362 -0.935 . . . . 0.0 109.829 177.879 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 8' ' ' MET . . . . . 0.454 ' HA ' ' CE ' ' A' ' 8' ' ' MET . 4.6 mmt -75.89 -60.67 2.22 Favored 'General case' 0 C--N 1.308 -1.228 0 N-CA-C 113.247 0.832 . . . . 0.0 113.247 -174.958 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -70.0 -42.88 67.22 Favored Glycine 0 N--CA 1.445 -0.734 0 C-N-CA 120.835 -0.698 . . . . 0.0 113.462 -174.419 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 10' ' ' HIS . . . . . 0.615 ' HB3' ' O ' ' A' ' 6' ' ' TYR . 48.5 t60 -67.33 -43.74 80.81 Favored 'General case' 0 CA--C 1.544 0.747 0 C-N-CA 120.645 -0.422 . . . . 0.0 111.807 -177.476 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 63.7 m-85 -73.3 -30.54 63.46 Favored 'General case' 0 N--CA 1.471 0.602 0 C-N-CA 120.445 -0.502 . . . . 0.0 112.1 177.168 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -56.13 -44.04 78.79 Favored 'General case' 0 CA--C 1.501 -0.917 0 O-C-N 123.233 0.333 . . . . 0.0 111.504 -177.635 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' GLY . . . . . 0.518 ' O ' HG22 ' A' ' 17' ' ' ILE . . . -64.21 -47.12 88.21 Favored Glycine 0 N--CA 1.435 -1.376 0 C-N-CA 120.148 -1.025 . . . . 0.0 111.74 178.631 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 13.4 mptt -74.84 -40.75 60.86 Favored 'General case' 0 C--N 1.321 -0.646 0 N-CA-C 113.02 0.748 . . . . 0.0 113.02 -172.825 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -70.08 -34.42 73.15 Favored 'General case' 0 C--N 1.306 -1.308 0 C-N-CA 120.875 -0.33 . . . . 0.0 111.081 -178.078 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 20.0 m -75.55 -39.6 57.98 Favored 'General case' 0 C--N 1.3 -1.549 0 C-N-CA 121.038 -0.265 . . . . 0.0 111.201 -179.36 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.518 HG22 ' O ' ' A' ' 13' ' ' GLY . 9.3 tp -77.79 -54.95 11.56 Favored 'Isoleucine or valine' 0 C--O 1.206 -1.211 0 C-N-CA 118.496 -1.282 . . . . 0.0 111.592 177.812 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 26.3 m-85 -78.68 -61.3 2.05 Favored 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 113.385 0.883 . . . . 0.0 113.385 -176.152 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -58.69 -52.69 51.6 Favored Glycine 0 CA--C 1.502 -0.759 0 CA-C-N 115.702 -0.681 . . . . 0.0 112.289 -176.168 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 5.8 mp -61.02 -30.35 70.25 Favored 'General case' 0 CA--C 1.5 -0.961 0 N-CA-C 113.636 0.976 . . . . 0.0 113.636 177.52 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -59.22 -26.1 64.58 Favored 'General case' 0 C--O 1.21 -1.025 0 C-N-CA 121.218 -0.193 . . . . 0.0 111.205 176.33 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -74.05 -34.06 63.93 Favored 'General case' 0 C--N 1.313 -0.982 0 C-N-CA 120.257 -0.577 . . . . 0.0 110.959 179.142 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' TRP . . . . . 0.412 ' CE3' ' HA ' ' A' ' 23' ' ' TRP . 0.1 OUTLIER -91.13 -40.61 11.49 Favored 'General case' 0 C--O 1.204 -1.335 0 C-N-CA 119.542 -0.863 . . . . 0.0 112.176 -179.969 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.411 0 CA-C-O 121.328 0.585 . . . . 0.0 112.474 177.541 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 20.4 tp . . . . . 0 N--CA 1.434 -1.239 0 N-CA-C 105.736 -1.949 . . . . 0.0 105.736 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -68.84 -39.2 80.08 Favored 'General case' 0 C--N 1.311 -1.089 0 CA-C-N 118.172 0.442 . . . . 0.0 111.187 -177.894 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 6' ' ' TYR . . . . . 0.503 ' O ' ' HB3' ' A' ' 10' ' ' HIS . 86.6 m-85 -75.67 -19.14 59.36 Favored 'General case' 0 C--N 1.308 -1.237 0 CA-C-O 121.298 0.57 . . . . 0.0 111.379 176.186 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 7' ' ' ASN . . . . . 0.44 ' O ' ' HB2' ' A' ' 11' ' ' TYR . 22.5 t-20 -76.27 -61.17 2.03 Favored 'General case' 0 C--N 1.295 -1.765 0 CA-C-O 121.508 0.67 . . . . 0.0 109.974 174.87 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -76.99 -61.16 2.07 Favored 'General case' 0 C--N 1.301 -1.518 0 CA-C-N 115.583 -0.735 . . . . 0.0 112.494 -175.292 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -67.63 -43.18 86.35 Favored Glycine 0 CA--C 1.503 -0.696 0 CA-C-N 115.956 -0.566 . . . . 0.0 113.945 -173.244 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 10' ' ' HIS . . . . . 0.503 ' HB3' ' O ' ' A' ' 6' ' ' TYR . 37.6 t60 -67.49 -44.52 78.3 Favored 'General case' 0 C--N 1.32 -0.675 0 N-CA-C 109.739 -0.467 . . . . 0.0 109.739 -178.01 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 11' ' ' TYR . . . . . 0.44 ' HB2' ' O ' ' A' ' 7' ' ' ASN . 48.7 m-85 -69.67 -29.41 66.84 Favored 'General case' 0 CA--C 1.502 -0.879 0 N-CA-C 112.828 0.677 . . . . 0.0 112.828 178.303 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -59.24 -38.42 79.97 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.181 0.515 . . . . 0.0 109.982 176.324 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -72.66 -48.11 23.98 Favored Glycine 0 N--CA 1.435 -1.417 0 CA-C-N 115.621 -0.718 . . . . 0.0 111.566 177.064 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.443 ' HD2' ' CD2' ' A' ' 10' ' ' HIS . 6.6 mtpm? -65.48 -37.39 86.7 Favored 'General case' 0 C--N 1.317 -0.845 0 N-CA-C 113.905 1.076 . . . . 0.0 113.905 -175.545 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -72.71 -28.88 62.94 Favored 'General case' 0 C--N 1.305 -1.368 0 C-N-CA 120.857 -0.337 . . . . 0.0 110.458 178.427 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' THR . . . . . 0.459 ' O ' ' HB2' ' A' ' 20' ' ' LEU . 34.0 m -75.69 -41.07 54.75 Favored 'General case' 0 N--CA 1.433 -1.307 0 CA-C-O 120.856 0.36 . . . . 0.0 110.794 178.138 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 7.3 tp -77.24 -55.6 10.21 Favored 'Isoleucine or valine' 0 C--O 1.209 -1.054 0 C-N-CA 119.274 -0.971 . . . . 0.0 111.634 178.663 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 40.3 m-85 -78.79 -61.16 2.1 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 113.495 0.924 . . . . 0.0 113.495 -177.461 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -56.68 -52.38 50.88 Favored Glycine 0 CA--C 1.503 -0.656 0 CA-C-N 115.393 -0.821 . . . . 0.0 112.4 -176.439 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.459 ' HB2' ' O ' ' A' ' 16' ' ' THR . 4.5 mp -62.08 -31.71 72.17 Favored 'General case' 0 C--O 1.204 -1.31 0 N-CA-C 113.646 0.98 . . . . 0.0 113.646 177.026 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.87 -31.5 72.56 Favored 'General case' 0 C--O 1.211 -0.96 0 CA-C-N 118.337 0.517 . . . . 0.0 110.336 177.054 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -72.64 -31.59 65.24 Favored 'General case' 0 C--N 1.303 -1.43 0 CA-C-O 120.979 0.419 . . . . 0.0 110.948 177.797 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 0.3 OUTLIER -89.78 -40.22 12.62 Favored 'General case' 0 C--O 1.191 -2.003 0 C-N-CA 118.833 -1.147 . . . . 0.0 111.632 -179.263 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.301 -1.542 0 N-CA-C 113.075 0.768 . . . . 0.0 113.075 178.488 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 29.5 tp . . . . . 0 N--CA 1.441 -0.895 0 N-CA-C 108.2 -1.037 . . . . 0.0 108.2 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -59.45 -38.76 81.57 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 121.598 0.713 . . . . 0.0 110.475 178.667 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 6' ' ' TYR . . . . . 0.494 ' HA ' ' HB2' ' A' ' 10' ' ' HIS . 61.7 m-85 -82.51 -26.31 32.64 Favored 'General case' 0 C--N 1.302 -1.493 0 CA-C-N 115.422 -0.808 . . . . 0.0 112.543 -179.873 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 7' ' ' ASN . . . . . 0.446 ' O ' ' HB2' ' A' ' 11' ' ' TYR . 96.4 m-20 -75.32 -56.17 4.98 Favored 'General case' 0 C--N 1.308 -1.227 0 C-N-CA 120.358 -0.537 . . . . 0.0 110.22 178.385 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -76.92 -61.34 2.01 Favored 'General case' 0 C--N 1.299 -1.59 0 CA-C-N 116.003 -0.544 . . . . 0.0 112.023 -178.685 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -71.06 -44.1 55.4 Favored Glycine 0 CA--C 1.5 -0.893 0 CA-C-N 115.686 -0.688 . . . . 0.0 114.44 -171.194 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 10' ' ' HIS . . . . . 0.494 ' HB2' ' HA ' ' A' ' 6' ' ' TYR . 41.3 t60 -70.06 -39.16 75.83 Favored 'General case' 0 C--N 1.31 -1.136 0 C-N-CA 120.171 -0.611 . . . . 0.0 110.223 -176.118 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 11' ' ' TYR . . . . . 0.446 ' HB2' ' O ' ' A' ' 7' ' ' ASN . 42.9 m-85 -68.44 -28.65 67.25 Favored 'General case' 0 CA--C 1.5 -0.952 0 N-CA-C 112.529 0.566 . . . . 0.0 112.529 175.665 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -58.46 -37.93 76.48 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 109.805 -0.442 . . . . 0.0 109.805 176.563 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -75.18 -46.34 16.37 Favored Glycine 0 N--CA 1.442 -0.936 0 N-CA-C 111.257 -0.737 . . . . 0.0 111.257 177.037 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 1.2 mptm? -61.57 -41.35 97.26 Favored 'General case' 0 CA--C 1.511 -0.537 0 N-CA-C 113.401 0.889 . . . . 0.0 113.401 -178.968 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -71.61 -27.46 63.13 Favored 'General case' 0 C--N 1.303 -1.415 0 CA-C-O 120.662 0.268 . . . . 0.0 110.559 179.45 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 60.3 m -75.88 -38.96 57.34 Favored 'General case' 0 C--N 1.299 -1.59 0 C-N-CA 120.051 -0.66 . . . . 0.0 111.272 176.678 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -77.82 -54.78 11.85 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.978 0 C-N-CA 118.732 -1.187 . . . . 0.0 110.322 177.403 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 41.5 m-85 -78.55 -57.78 3.59 Favored 'General case' 0 C--N 1.314 -0.94 0 N-CA-C 113.308 0.855 . . . . 0.0 113.308 -177.248 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -59.51 -51.57 58.31 Favored Glycine 0 CA--C 1.503 -0.716 0 CA-C-N 115.791 -0.641 . . . . 0.0 112.454 -176.289 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 2.1 tp -61.51 -30.55 70.7 Favored 'General case' 0 C--N 1.313 -1.013 0 CA-C-O 119.705 -0.188 . . . . 0.0 111.235 179.828 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.15 -30.76 71.26 Favored 'General case' 0 C--O 1.219 -0.532 0 CA-C-N 117.928 0.331 . . . . 0.0 110.836 177.845 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -68.74 -31.72 70.99 Favored 'General case' 0 C--N 1.313 -1.0 0 CA-C-O 121.351 0.596 . . . . 0.0 110.129 178.719 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 0.5 OUTLIER -89.57 -40.07 12.86 Favored 'General case' 0 C--O 1.198 -1.647 0 C-N-CA 119.941 -0.703 . . . . 0.0 111.77 179.733 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.307 -1.276 0 CA-C-O 121.383 0.611 . . . . 0.0 112.48 179.876 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.44 ' HG ' ' H ' ' A' ' 6' ' ' TYR . 51.5 tp . . . . . 0 N--CA 1.426 -1.67 0 N-CA-C 109.335 -0.617 . . . . 0.0 109.335 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -61.28 -33.94 74.38 Favored 'General case' 0 C--O 1.208 -1.11 0 C-N-CA 123.27 0.628 . . . . 0.0 111.692 -179.228 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 6' ' ' TYR . . . . . 0.558 ' O ' ' HB3' ' A' ' 10' ' ' HIS . 89.5 m-85 -73.01 -30.93 64.13 Favored 'General case' 0 C--N 1.296 -1.72 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.349 177.919 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 10.3 m120 -76.55 -61.48 1.95 Allowed 'General case' 0 C--N 1.304 -1.387 0 CA-C-O 121.349 0.595 . . . . 0.0 110.395 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 26.5 tpp -77.89 -61.67 1.92 Allowed 'General case' 0 C--O 1.201 -1.461 0 N-CA-C 113.221 0.823 . . . . 0.0 113.221 -179.649 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -61.71 -50.11 69.47 Favored Glycine 0 N--CA 1.468 0.797 0 N-CA-C 114.117 0.407 . . . . 0.0 114.117 -173.008 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 10' ' ' HIS . . . . . 0.558 ' HB3' ' O ' ' A' ' 6' ' ' TYR . 21.6 t60 -62.25 -43.58 98.5 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 120.573 0.225 . . . . 0.0 110.838 -177.743 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 39.4 m-85 -73.27 -35.06 66.13 Favored 'General case' 0 C--O 1.208 -1.129 0 N-CA-C 113.096 0.776 . . . . 0.0 113.096 177.937 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -56.59 -37.38 70.54 Favored 'General case' 0 C--O 1.218 -0.555 0 CA-C-O 120.546 0.212 . . . . 0.0 110.784 179.843 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -66.18 -46.57 78.77 Favored Glycine 0 N--CA 1.44 -1.037 0 C-N-CA 120.827 -0.702 . . . . 0.0 111.718 177.303 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 13.4 mptt -74.71 -38.51 62.31 Favored 'General case' 0 C--N 1.317 -0.822 0 N-CA-C 112.523 0.564 . . . . 0.0 112.523 -176.736 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -67.61 -31.23 71.11 Favored 'General case' 0 C--N 1.31 -1.122 0 CA-C-N 116.498 -0.319 . . . . 0.0 110.989 179.288 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 16' ' ' THR . . . . . 0.491 ' HA ' HD13 ' A' ' 20' ' ' LEU . 91.6 m -74.7 -39.08 62.16 Favored 'General case' 0 N--CA 1.429 -1.499 0 C-N-CA 120.932 -0.307 . . . . 0.0 111.154 178.216 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 8.6 tp -77.2 -54.16 13.38 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.245 0 C-N-CA 118.319 -1.352 . . . . 0.0 111.358 178.48 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 33.2 m-85 -78.42 -62.41 1.69 Allowed 'General case' 0 C--N 1.314 -0.954 0 N-CA-C 113.507 0.928 . . . . 0.0 113.507 -177.683 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -58.55 -51.3 59.61 Favored Glycine 0 CA--C 1.499 -0.947 0 CA-C-N 115.543 -0.753 . . . . 0.0 112.678 -175.967 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.491 HD13 ' HA ' ' A' ' 16' ' ' THR . 6.8 mp -62.33 -30.55 71.24 Favored 'General case' 0 C--O 1.197 -1.665 0 N-CA-C 113.406 0.891 . . . . 0.0 113.406 176.409 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -64.36 -35.58 81.33 Favored 'General case' 0 C--N 1.302 -1.478 0 C-N-CA 119.647 -0.821 . . . . 0.0 110.051 174.803 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -74.78 -32.55 62.05 Favored 'General case' 0 C--N 1.306 -1.294 0 CA-C-O 121.437 0.637 . . . . 0.0 110.535 -179.681 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 0.5 OUTLIER -89.6 -49.82 6.44 Favored 'General case' 0 C--N 1.295 -1.793 0 N-CA-C 113.55 0.944 . . . . 0.0 113.55 -177.77 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.293 -1.87 0 CA-C-O 121.385 0.612 . . . . 0.0 111.532 -178.552 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 17.7 tp . . . . . 0 N--CA 1.433 -1.299 0 N-CA-C 107.78 -1.193 . . . . 0.0 107.78 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -58.45 -39.13 79.02 Favored 'General case' 0 C--N 1.309 -1.155 0 C-N-CA 123.215 0.606 . . . . 0.0 110.069 176.628 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 6' ' ' TYR . . . . . 0.562 ' O ' ' HB3' ' A' ' 10' ' ' HIS . 70.0 m-85 -78.4 -14.0 59.59 Favored 'General case' 0 C--N 1.305 -1.33 0 CA-C-N 115.443 -0.798 . . . . 0.0 112.14 178.308 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 23.1 t-20 -76.57 -61.35 1.99 Allowed 'General case' 0 C--N 1.31 -1.142 0 N-CA-C 108.623 -0.88 . . . . 0.0 108.623 175.511 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 32.5 tpp -77.56 -58.79 3.08 Favored 'General case' 0 C--O 1.208 -1.125 0 N-CA-C 113.299 0.851 . . . . 0.0 113.299 -179.557 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -61.69 -47.67 88.97 Favored Glycine 0 C--O 1.239 0.438 0 O-C-N 123.192 0.308 . . . . 0.0 113.761 -172.695 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 10' ' ' HIS . . . . . 0.562 ' HB3' ' O ' ' A' ' 6' ' ' TYR . 39.9 t60 -63.97 -40.95 97.56 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-O 121.025 0.44 . . . . 0.0 110.767 -178.995 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 22.4 m-85 -73.47 -32.22 64.2 Favored 'General case' 0 C--O 1.2 -1.531 0 N-CA-C 112.823 0.675 . . . . 0.0 112.823 176.722 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -55.77 -44.9 78.15 Favored 'General case' 0 C--O 1.216 -0.67 0 C-N-CA 122.625 0.37 . . . . 0.0 111.396 -176.914 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -68.56 -37.41 85.14 Favored Glycine 0 C--N 1.313 -0.729 0 C-N-CA 120.332 -0.937 . . . . 0.0 112.202 179.396 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.454 ' HD3' ' O ' ' A' ' 10' ' ' HIS . 13.5 mptt -76.21 -30.28 57.93 Favored 'General case' 0 C--N 1.314 -0.974 0 CA-C-O 121.161 0.505 . . . . 0.0 111.725 -179.096 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -70.28 -30.63 67.7 Favored 'General case' 0 C--N 1.304 -1.41 0 CA-C-N 115.929 -0.578 . . . . 0.0 111.094 179.482 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 8.0 m -72.31 -36.31 68.87 Favored 'General case' 0 C--N 1.303 -1.413 0 C-N-CA 120.268 -0.573 . . . . 0.0 110.318 177.883 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 8.2 tp -77.84 -54.48 12.39 Favored 'Isoleucine or valine' 0 C--O 1.21 -0.98 0 C-N-CA 118.861 -1.136 . . . . 0.0 111.292 176.8 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 41.1 m-85 -78.24 -62.25 1.74 Allowed 'General case' 0 C--N 1.32 -0.7 0 N-CA-C 113.965 1.098 . . . . 0.0 113.965 -178.131 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -58.03 -50.01 69.95 Favored Glycine 0 CA--C 1.501 -0.804 0 CA-C-N 115.816 -0.629 . . . . 0.0 112.9 -175.598 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 3.7 tp -64.24 -29.95 71.02 Favored 'General case' 0 N--CA 1.434 -1.255 0 CA-C-N 115.313 -0.444 . . . . 0.0 111.445 -178.836 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -58.34 -26.12 62.74 Favored 'General case' 0 C--O 1.214 -0.8 0 N-CA-C 111.744 0.275 . . . . 0.0 111.744 179.523 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -71.68 -33.32 68.73 Favored 'General case' 0 C--O 1.212 -0.879 0 CA-C-O 121.123 0.487 . . . . 0.0 110.217 -179.554 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 0.6 OUTLIER -90.86 -36.54 14.13 Favored 'General case' 0 C--N 1.305 -1.368 0 C-N-CA 120.174 -0.61 . . . . 0.0 112.171 178.571 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.309 -1.154 0 N-CA-C 112.407 0.521 . . . . 0.0 112.407 179.505 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 19.6 tp . . . . . 0 N--CA 1.438 -1.064 0 N-CA-C 106.084 -1.821 . . . . 0.0 106.084 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -58.12 -41.93 84.68 Favored 'General case' 0 C--N 1.316 -0.868 0 CA-C-O 121.674 0.749 . . . . 0.0 112.032 -176.832 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 6' ' ' TYR . . . . . 0.533 ' O ' ' HB3' ' A' ' 10' ' ' HIS . 97.0 m-85 -77.18 -28.9 54.14 Favored 'General case' 0 C--N 1.296 -1.737 0 CA-C-N 115.44 -0.8 . . . . 0.0 111.631 -179.723 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 3.0 m-20 -76.11 -49.62 16.9 Favored 'General case' 0 C--N 1.293 -1.876 0 C-N-CA 119.995 -0.682 . . . . 0.0 110.812 -179.617 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -77.38 -62.24 1.72 Allowed 'General case' 0 C--N 1.304 -1.413 0 CA-C-N 116.035 -0.53 . . . . 0.0 112.305 179.662 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -73.2 -41.41 46.91 Favored Glycine 0 N--CA 1.445 -0.702 0 N-CA-C 114.984 0.754 . . . . 0.0 114.984 -172.728 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 10' ' ' HIS . . . . . 0.533 ' HB3' ' O ' ' A' ' 6' ' ' TYR . 56.3 t60 -70.87 -39.12 73.07 Favored 'General case' 0 C--N 1.317 -0.84 0 C-N-CA 119.779 -0.769 . . . . 0.0 110.599 -176.929 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 54.1 m-85 -70.42 -31.54 68.79 Favored 'General case' 0 CA--C 1.501 -0.919 0 C-N-CA 120.734 -0.386 . . . . 0.0 112.001 175.248 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -59.26 -33.32 70.9 Favored 'General case' 0 C--O 1.217 -0.612 0 CA-C-O 121.042 0.448 . . . . 0.0 110.517 178.209 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -73.62 -49.39 14.58 Favored Glycine 0 N--CA 1.435 -1.393 0 C-N-CA 120.322 -0.942 . . . . 0.0 111.203 176.271 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 1.2 mptm? -68.28 -39.61 82.09 Favored 'General case' 0 CA--C 1.506 -0.726 0 N-CA-C 113.724 1.009 . . . . 0.0 113.724 -175.816 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -70.32 -30.08 66.96 Favored 'General case' 0 C--N 1.308 -1.198 0 C-N-CA 120.837 -0.345 . . . . 0.0 110.808 -179.387 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 21.1 m -76.09 -36.2 59.02 Favored 'General case' 0 C--N 1.307 -1.245 0 C-N-CA 119.825 -0.75 . . . . 0.0 110.927 178.336 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 7.8 tp -78.16 -55.47 10.05 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.859 0 C-N-CA 118.518 -1.273 . . . . 0.0 112.375 176.698 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 27.5 m-85 -78.78 -62.53 1.66 Allowed 'General case' 0 C--N 1.321 -0.649 0 N-CA-C 112.917 0.71 . . . . 0.0 112.917 -177.628 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -54.77 -50.18 59.0 Favored Glycine 0 CA--C 1.5 -0.898 0 CA-C-N 115.77 -0.65 . . . . 0.0 113.554 -178.019 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 4.1 tp -64.71 -30.83 71.85 Favored 'General case' 0 C--N 1.31 -1.126 0 C-N-CA 120.893 -0.323 . . . . 0.0 111.662 -179.693 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.46 -25.9 68.23 Favored 'General case' 0 C--O 1.218 -0.603 0 CA-C-O 120.571 0.224 . . . . 0.0 110.77 178.484 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -69.63 -31.79 70.1 Favored 'General case' 0 C--O 1.21 -1.022 0 CA-C-O 121.024 0.44 . . . . 0.0 110.211 177.577 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -90.45 -40.7 11.88 Favored 'General case' 0 N--CA 1.43 -1.442 0 C-N-CA 119.661 -0.816 . . . . 0.0 111.518 -179.934 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.301 -1.505 0 CA-C-O 121.29 0.566 . . . . 0.0 111.963 179.755 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 19.7 tp . . . . . 0 N--CA 1.426 -1.663 0 N-CA-C 104.227 -2.509 . . . . 0.0 104.227 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -63.71 -31.56 72.77 Favored 'General case' 0 C--N 1.304 -1.381 0 CA-C-O 121.776 0.798 . . . . 0.0 110.818 179.537 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 6' ' ' TYR . . . . . 0.568 ' O ' ' HB3' ' A' ' 10' ' ' HIS . 85.5 m-85 -85.15 -19.98 30.95 Favored 'General case' 0 C--N 1.307 -1.277 0 CA-C-N 115.527 -0.761 . . . . 0.0 111.548 177.331 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 22.7 t-20 -75.95 -60.22 2.42 Favored 'General case' 0 C--N 1.298 -1.665 0 CA-C-N 115.955 -0.566 . . . . 0.0 109.888 177.722 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 8' ' ' MET . . . . . 0.486 ' HA ' ' CE ' ' A' ' 8' ' ' MET . 1.7 mmt -77.29 -61.02 2.12 Favored 'General case' 0 C--N 1.303 -1.416 0 N-CA-C 113.756 1.021 . . . . 0.0 113.756 179.788 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -65.29 -49.46 61.3 Favored Glycine 0 C--N 1.318 -0.457 0 N-CA-C 114.528 0.571 . . . . 0.0 114.528 -174.161 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 10' ' ' HIS . . . . . 0.568 ' HB3' ' O ' ' A' ' 6' ' ' TYR . 76.3 t60 -64.29 -42.1 96.55 Favored 'General case' 0 C--N 1.314 -0.965 0 CA-C-O 120.824 0.345 . . . . 0.0 111.054 -177.478 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 32.9 m-85 -68.04 -35.53 78.4 Favored 'General case' 0 C--O 1.211 -0.938 0 C-N-CA 120.777 -0.369 . . . . 0.0 111.994 175.838 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -56.76 -41.59 77.85 Favored 'General case' 0 N--CA 1.468 0.452 0 CA-C-O 120.921 0.391 . . . . 0.0 110.553 179.021 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -64.95 -44.97 93.78 Favored Glycine 0 N--CA 1.437 -1.282 0 CA-C-N 115.646 -0.707 . . . . 0.0 112.526 178.562 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 1.5 mptm? -75.16 -37.95 61.1 Favored 'General case' 0 CA--C 1.503 -0.845 0 N-CA-C 112.526 0.565 . . . . 0.0 112.526 -176.708 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -67.6 -31.09 70.88 Favored 'General case' 0 C--N 1.31 -1.132 0 CA-C-N 116.54 -0.3 . . . . 0.0 111.586 -178.222 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 27.8 m -75.99 -38.96 56.83 Favored 'General case' 0 C--N 1.304 -1.391 0 C-N-CA 119.506 -0.878 . . . . 0.0 111.407 178.145 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 11.5 tt -77.62 -55.23 10.98 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.852 0 C-N-CA 118.65 -1.22 . . . . 0.0 111.748 178.705 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 41.1 m-85 -79.71 -62.4 1.7 Allowed 'General case' 0 C--N 1.319 -0.728 0 N-CA-C 113.465 0.913 . . . . 0.0 113.465 -178.526 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -54.51 -46.8 72.38 Favored Glycine 0 CA--C 1.501 -0.805 0 CA-C-N 115.383 -0.826 . . . . 0.0 113.637 -177.331 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 2.5 tp -66.33 -31.93 73.02 Favored 'General case' 0 N--CA 1.433 -1.295 0 C-N-CA 120.986 -0.286 . . . . 0.0 111.055 179.022 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -66.18 -28.58 68.87 Favored 'General case' 0 C--O 1.216 -0.702 0 CA-C-O 121.212 0.53 . . . . 0.0 109.973 177.371 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -71.13 -31.26 67.52 Favored 'General case' 0 C--N 1.311 -1.108 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.174 176.557 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -89.26 -43.16 11.17 Favored 'General case' 0 C--N 1.299 -1.62 0 N-CA-C 112.258 0.466 . . . . 0.0 112.258 -178.677 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.297 -1.7 0 CA-C-O 121.422 0.63 . . . . 0.0 111.858 178.154 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.531 ' HB3' ' OD1' ' A' ' 7' ' ' ASN . 44.8 tp . . . . . 0 C--O 1.252 1.228 0 N-CA-C 104.959 -2.237 . . . . 0.0 104.959 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -56.15 -38.85 71.41 Favored 'General case' 0 C--N 1.31 -1.122 0 O-C-N 123.997 0.811 . . . . 0.0 111.693 178.937 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 6' ' ' TYR . . . . . 0.504 ' O ' ' HB3' ' A' ' 10' ' ' HIS . 94.1 m-85 -74.19 -29.55 61.81 Favored 'General case' 0 C--N 1.308 -1.233 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.821 178.656 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 7' ' ' ASN . . . . . 0.531 ' OD1' ' HB3' ' A' ' 4' ' ' LEU . 14.3 m120 -71.21 -60.68 2.1 Favored 'General case' 0 C--N 1.299 -1.61 0 CA-C-N 116.398 -0.364 . . . . 0.0 110.709 -178.698 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 26.3 tpp -78.63 -61.58 1.96 Allowed 'General case' 0 C--N 1.301 -1.521 0 N-CA-C 113.45 0.907 . . . . 0.0 113.45 178.001 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -64.7 -47.91 78.26 Favored Glycine 0 N--CA 1.459 0.207 0 CA-C-N 115.896 -0.593 . . . . 0.0 114.496 -172.059 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 10' ' ' HIS . . . . . 0.504 ' HB3' ' O ' ' A' ' 6' ' ' TYR . 78.0 t60 -67.38 -43.4 81.47 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 120.866 0.365 . . . . 0.0 110.31 -178.527 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 11' ' ' TYR . . . . . 0.521 ' HB2' ' O ' ' A' ' 7' ' ' ASN . 24.9 m-85 -67.99 -28.84 67.77 Favored 'General case' 0 CA--C 1.491 -1.299 0 N-CA-C 113.081 0.771 . . . . 0.0 113.081 177.984 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -56.48 -37.64 70.62 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 120.867 0.365 . . . . 0.0 110.474 178.924 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -70.34 -45.78 52.95 Favored Glycine 0 N--CA 1.438 -1.175 0 C-N-CA 120.882 -0.675 . . . . 0.0 111.493 177.66 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.41 ' HD2' ' N ' ' A' ' 14' ' ' LYS . 0.5 OUTLIER -70.19 -32.81 70.91 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 112.126 0.417 . . . . 0.0 112.126 -178.38 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -70.55 -28.07 64.63 Favored 'General case' 0 C--O 1.203 -1.363 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.765 178.607 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 16' ' ' THR . . . . . 0.489 ' O ' ' HB2' ' A' ' 20' ' ' LEU . 28.0 m -74.87 -37.9 62.06 Favored 'General case' 0 C--N 1.309 -1.171 0 C-N-CA 120.386 -0.525 . . . . 0.0 109.693 177.333 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 7.7 tt -78.17 -56.36 7.76 Favored 'Isoleucine or valine' 0 C--O 1.207 -1.135 0 C-N-CA 118.302 -1.359 . . . . 0.0 111.85 177.17 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 52.2 m-85 -79.03 -53.27 7.19 Favored 'General case' 0 C--N 1.318 -0.763 0 N-CA-C 113.601 0.963 . . . . 0.0 113.601 -176.302 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -61.61 -52.61 49.81 Favored Glycine 0 CA--C 1.5 -0.87 0 CA-C-N 115.516 -0.765 . . . . 0.0 111.428 -177.224 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.489 ' HB2' ' O ' ' A' ' 16' ' ' THR . 2.5 mp -61.74 -30.85 71.05 Favored 'General case' 0 C--N 1.315 -0.912 0 N-CA-C 113.056 0.762 . . . . 0.0 113.056 177.575 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -59.44 -26.19 64.99 Favored 'General case' 0 C--O 1.214 -0.782 0 CA-C-O 120.527 0.203 . . . . 0.0 110.969 175.909 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -70.86 -31.73 68.52 Favored 'General case' 0 C--O 1.212 -0.914 0 CA-C-O 120.811 0.339 . . . . 0.0 111.17 177.014 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' TRP . . . . . 0.401 ' CE3' ' HA ' ' A' ' 23' ' ' TRP . 0.8 OUTLIER -90.61 -40.79 11.72 Favored 'General case' 0 C--N 1.306 -1.283 0 C-N-CA 119.567 -0.853 . . . . 0.0 111.103 -179.693 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.308 -1.213 0 N-CA-C 112.6 0.593 . . . . 0.0 112.6 178.166 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 32.1 ttt180 . . . . . 0 CA--C 1.545 0.786 0 CA-C-O 121.429 0.633 . . . . 0.0 110.048 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 7.3 p30 -103.06 135.42 44.77 Favored 'General case' 0 C--N 1.311 -1.104 0 CA-C-O 121.005 0.431 . . . . 0.0 111.608 -176.735 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 29.8 ttpt -177.17 142.23 0.35 Allowed 'General case' 0 N--CA 1.433 -1.284 0 N-CA-C 106.229 -1.767 . . . . 0.0 106.229 179.233 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 21.8 tp 177.03 163.45 0.48 Allowed 'General case' 0 CA--C 1.509 -0.604 0 N-CA-C 107.361 -1.348 . . . . 0.0 107.361 -177.266 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -59.35 -30.75 68.61 Favored 'General case' 0 C--N 1.317 -0.819 0 CA-C-O 121.919 0.866 . . . . 0.0 111.081 178.455 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' TYR . . . . . 0.508 ' O ' ' HB3' ' A' ' 10' ' ' HIS . 97.2 m-85 -83.95 -23.45 31.1 Favored 'General case' 0 C--N 1.311 -1.087 0 CA-C-N 115.379 -0.828 . . . . 0.0 110.969 178.38 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' ASN . . . . . 0.534 ' O ' ' HB2' ' A' ' 11' ' ' TYR . 22.2 t-20 -76.52 -61.05 2.09 Favored 'General case' 0 C--N 1.298 -1.664 0 CA-C-O 121.209 0.528 . . . . 0.0 110.49 177.263 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' MET . . . . . 0.445 ' HA ' ' CE ' ' A' ' 8' ' ' MET . 1.5 mmt -77.68 -61.52 1.97 Allowed 'General case' 0 C--N 1.302 -1.5 0 N-CA-C 113.735 1.013 . . . . 0.0 113.735 -178.276 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -63.57 -44.46 96.51 Favored Glycine 0 CA--C 1.503 -0.688 0 N-CA-C 114.174 0.43 . . . . 0.0 114.174 -175.227 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' HIS . . . . . 0.508 ' HB3' ' O ' ' A' ' 6' ' ' TYR . 25.6 t60 -68.69 -40.11 80.21 Favored 'General case' 0 C--N 1.315 -0.914 0 C-N-CA 120.388 -0.525 . . . . 0.0 110.32 -178.325 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.534 ' HB2' ' O ' ' A' ' 7' ' ' ASN . 13.0 m-85 -67.25 -33.37 75.19 Favored 'General case' 0 CA--C 1.497 -1.094 0 N-CA-C 112.295 0.48 . . . . 0.0 112.295 175.773 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -58.03 -37.27 74.04 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 109.857 -0.423 . . . . 0.0 109.857 177.277 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' GLY . . . . . 0.401 ' O ' HG22 ' A' ' 17' ' ' ILE . . . -64.3 -48.09 78.02 Favored Glycine 0 N--CA 1.444 -0.791 0 N-CA-C 111.092 -0.803 . . . . 0.0 111.092 176.448 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.504 ' HE2' ' CE1' ' A' ' 10' ' ' HIS . 5.0 mptp? -63.78 -46.75 83.78 Favored 'General case' 0 CA--C 1.507 -0.674 0 CA-C-O 120.907 0.384 . . . . 0.0 111.406 -179.365 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -66.59 -32.66 74.14 Favored 'General case' 0 C--N 1.306 -1.309 0 CA-C-N 115.811 -0.631 . . . . 0.0 111.614 -177.417 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 26.5 m -75.9 -36.09 59.59 Favored 'General case' 0 C--N 1.311 -1.091 0 C-N-CA 119.635 -0.826 . . . . 0.0 110.977 178.466 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.401 HG22 ' O ' ' A' ' 13' ' ' GLY . 9.0 tp -78.36 -54.92 11.27 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.946 0 C-N-CA 118.514 -1.274 . . . . 0.0 111.63 177.794 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 18.5 m-85 -79.2 -60.7 2.27 Favored 'General case' 0 C--N 1.315 -0.935 0 N-CA-C 112.982 0.734 . . . . 0.0 112.982 -177.958 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -57.75 -51.43 58.09 Favored Glycine 0 CA--C 1.497 -1.059 0 CA-C-N 115.476 -0.783 . . . . 0.0 112.608 -175.493 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 3.7 tp -63.25 -30.68 71.78 Favored 'General case' 0 C--O 1.205 -1.266 0 CA-C-N 115.487 -0.357 . . . . 0.0 111.651 -179.25 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -60.94 -35.13 75.92 Favored 'General case' 0 C--O 1.214 -0.81 0 CA-C-O 121.02 0.438 . . . . 0.0 110.291 178.59 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.469 ' O ' ' HB3' ' A' ' 26' ' ' LEU . . . -69.7 -31.68 69.84 Favored 'General case' 0 C--N 1.312 -1.039 0 CA-C-O 121.461 0.648 . . . . 0.0 110.592 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' TRP . . . . . 0.456 ' O ' ' HB3' ' A' ' 27' ' ' ALA . 0.5 OUTLIER -89.89 -44.55 9.85 Favored 'General case' 0 C--N 1.292 -1.927 0 N-CA-C 113.392 0.886 . . . . 0.0 113.392 -177.839 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -76.64 -57.16 4.02 Favored 'General case' 0 C--N 1.29 -2.007 0 CA-C-O 121.524 0.678 . . . . 0.0 111.981 -179.727 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 95.8 mt -81.85 -39.15 24.36 Favored 'General case' 0 C--N 1.318 -0.802 0 N-CA-C 114.033 1.123 . . . . 0.0 114.033 -174.972 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.469 ' HB3' ' O ' ' A' ' 22' ' ' ALA . 54.8 tp -91.45 -16.68 26.94 Favored 'General case' 0 C--N 1.31 -1.129 0 N-CA-C 113.395 0.887 . . . . 0.0 113.395 -172.726 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' ALA . . . . . 0.456 ' HB3' ' O ' ' A' ' 23' ' ' TRP . . . . . . . . 0 C--N 1.289 -2.055 0 CA-C-O 118.617 -0.706 . . . . 0.0 111.689 -177.658 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 67.6 mtt180 . . . . . 0 CA--C 1.487 -1.475 0 N-CA-C 107.928 -1.138 . . . . 0.0 107.928 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' ASN . . . . . 0.443 HD22 ' HA ' ' A' ' 8' ' ' MET . 1.4 m-20 -105.27 137.11 43.58 Favored 'General case' 0 C--N 1.292 -1.928 0 C-N-CA 120.697 -0.401 . . . . 0.0 110.548 -171.772 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 18.4 ptmt -158.49 -40.31 0.06 Allowed 'General case' 0 C--N 1.317 -0.841 0 CA-C-N 115.961 -0.563 . . . . 0.0 112.036 179.563 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 24.9 tp -84.93 162.83 19.28 Favored 'General case' 0 C--N 1.29 -2.003 0 CA-C-N 115.42 -0.809 . . . . 0.0 109.611 -178.477 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -54.85 -39.81 69.01 Favored 'General case' 0 CA--C 1.513 -0.463 0 C-N-CA 124.611 1.164 . . . . 0.0 112.143 -177.692 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' TYR . . . . . 0.508 ' O ' ' HB3' ' A' ' 10' ' ' HIS . 88.9 m-85 -80.46 -19.75 45.33 Favored 'General case' 0 C--N 1.295 -1.772 0 CA-C-N 115.874 -0.603 . . . . 0.0 112.354 179.474 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 7' ' ' ASN . . . . . 0.482 ' O ' ' HB2' ' A' ' 11' ' ' TYR . 10.2 m120 -76.83 -62.93 1.48 Allowed 'General case' 0 C--O 1.196 -1.751 0 C-N-CA 118.615 -1.234 . . . . 0.0 108.526 178.032 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 8' ' ' MET . . . . . 0.443 ' HA ' HD22 ' A' ' 2' ' ' ASN . 35.2 tpp -78.79 -60.89 2.2 Favored 'General case' 0 C--N 1.31 -1.114 0 N-CA-C 114.147 1.166 . . . . 0.0 114.147 -176.871 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -60.47 -45.64 95.86 Favored Glycine 0 CA--C 1.506 -0.476 0 CA-C-N 116.361 -0.382 . . . . 0.0 113.51 -174.924 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' HIS . . . . . 0.508 ' HB3' ' O ' ' A' ' 6' ' ' TYR . 70.4 t60 -66.77 -43.28 84.43 Favored 'General case' 0 C--N 1.31 -1.117 0 CA-C-O 120.608 0.242 . . . . 0.0 111.122 -179.349 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.482 ' HB2' ' O ' ' A' ' 7' ' ' ASN . 9.0 m-85 -68.14 -32.32 72.52 Favored 'General case' 0 CA--C 1.498 -1.022 0 N-CA-C 112.74 0.645 . . . . 0.0 112.74 178.203 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -56.53 -43.52 79.93 Favored 'General case' 0 CA--C 1.512 -0.516 0 O-C-N 123.256 0.347 . . . . 0.0 110.489 179.797 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -62.85 -39.11 97.6 Favored Glycine 0 N--CA 1.446 -0.683 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.975 179.335 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 1.3 mptm? -75.1 -33.78 61.66 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-O 121.109 0.481 . . . . 0.0 111.585 -179.916 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -72.89 -27.53 61.95 Favored 'General case' 0 C--N 1.307 -1.263 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.522 -179.257 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 19.9 m -74.93 -39.29 61.46 Favored 'General case' 0 C--N 1.308 -1.214 0 C-N-CA 120.058 -0.657 . . . . 0.0 110.35 176.895 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 12.1 tt -76.85 -55.41 10.91 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.823 0 C-N-CA 118.79 -1.164 . . . . 0.0 111.375 178.627 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 32.9 m-85 -78.9 -61.93 1.86 Allowed 'General case' 0 C--N 1.317 -0.831 0 N-CA-C 113.161 0.8 . . . . 0.0 113.161 -178.171 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -55.43 -47.83 73.63 Favored Glycine 0 CA--C 1.502 -0.739 0 CA-C-N 115.264 -0.88 . . . . 0.0 113.53 -176.377 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 1.6 tp -67.62 -31.16 70.99 Favored 'General case' 0 C--N 1.309 -1.186 0 C-N-CA 120.603 -0.439 . . . . 0.0 111.255 179.82 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -67.11 -26.43 66.7 Favored 'General case' 0 C--O 1.214 -0.784 0 CA-C-O 121.026 0.441 . . . . 0.0 110.012 178.295 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.617 ' O ' ' HB3' ' A' ' 26' ' ' LEU . . . -66.93 -31.29 71.78 Favored 'General case' 0 C--N 1.313 -0.983 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.011 176.716 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 0.4 OUTLIER -89.99 -41.32 11.8 Favored 'General case' 0 N--CA 1.426 -1.637 0 C-N-CA 119.077 -1.049 . . . . 0.0 111.626 179.457 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -76.17 -56.03 5.02 Favored 'General case' 0 C--N 1.308 -1.233 0 N-CA-C 112.918 0.711 . . . . 0.0 112.918 -179.52 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 8.0 mp -82.58 -28.75 30.68 Favored 'General case' 0 C--N 1.319 -0.721 0 N-CA-C 114.664 1.357 . . . . 0.0 114.664 -175.52 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.617 ' HB3' ' O ' ' A' ' 22' ' ' ALA . 38.2 tp -97.53 -26.62 14.75 Favored 'General case' 0 C--N 1.317 -0.811 0 N-CA-C 112.721 0.637 . . . . 0.0 112.721 -174.111 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.278 -2.54 0 CA-C-N 115.792 -0.64 . . . . 0.0 111.518 -175.782 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 46.3 mmt-85 . . . . . 0 N--CA 1.464 0.256 0 N-CA-C 109.564 -0.532 . . . . 0.0 109.564 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 27.5 t-20 71.86 104.65 0.07 Allowed 'General case' 0 C--O 1.257 1.477 0 C-N-CA 124.387 1.075 . . . . 0.0 109.904 -173.938 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 12.2 ttpt -77.05 98.73 5.09 Favored 'General case' 0 N--CA 1.439 -0.979 0 CA-C-O 121.457 0.646 . . . . 0.0 109.898 -176.784 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 30.9 tp -132.86 144.98 50.55 Favored 'General case' 0 C--N 1.274 -2.676 0 N-CA-C 106.727 -1.583 . . . . 0.0 106.727 177.414 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -60.42 -34.88 74.58 Favored 'General case' 0 C--N 1.312 -1.024 0 CA-C-O 121.148 0.499 . . . . 0.0 111.1 -179.507 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' TYR . . . . . 0.55 ' O ' ' HB3' ' A' ' 10' ' ' HIS . 98.3 m-85 -77.38 -27.81 52.65 Favored 'General case' 0 C--N 1.296 -1.756 0 CA-C-N 115.895 -0.593 . . . . 0.0 111.865 179.9 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 86.9 m-20 -77.23 -61.82 1.86 Allowed 'General case' 0 C--N 1.311 -1.091 0 C-N-CA 119.877 -0.729 . . . . 0.0 109.836 177.893 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 70.5 mmm -77.8 -61.06 2.12 Favored 'General case' 0 C--N 1.31 -1.123 0 CA-C-N 115.255 -0.884 . . . . 0.0 113.081 -176.446 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -63.39 -45.71 94.35 Favored Glycine 0 N--CA 1.463 0.47 0 CA-C-N 116.116 -0.493 . . . . 0.0 114.049 -173.682 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' HIS . . . . . 0.55 ' HB3' ' O ' ' A' ' 6' ' ' TYR . 10.1 t60 -63.35 -40.11 96.39 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.999 0.428 . . . . 0.0 110.533 -179.083 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 18.5 m-85 -73.04 -33.27 65.6 Favored 'General case' 0 C--O 1.203 -1.359 0 N-CA-C 112.273 0.471 . . . . 0.0 112.273 176.288 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -55.83 -50.62 70.05 Favored 'General case' 0 CA--C 1.501 -0.914 0 O-C-N 123.398 0.436 . . . . 0.0 111.087 -178.695 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -60.85 -40.55 98.41 Favored Glycine 0 N--CA 1.445 -0.739 0 O-C-N 123.682 0.614 . . . . 0.0 111.996 179.861 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.54 ' HE3' ' N ' ' A' ' 14' ' ' LYS . 0.7 OUTLIER -75.25 -33.47 61.3 Favored 'General case' 0 N--CA 1.443 -0.816 0 CA-C-O 120.711 0.291 . . . . 0.0 111.328 -177.333 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -71.97 -31.46 66.3 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-N 116.411 -0.359 . . . . 0.0 111.386 179.672 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 26.1 m -73.8 -36.87 65.06 Favored 'General case' 0 C--N 1.301 -1.516 0 C-N-CA 120.31 -0.556 . . . . 0.0 110.433 177.766 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 13.6 tt -78.36 -55.22 10.57 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.17 0 C-N-CA 118.013 -1.475 . . . . 0.0 112.227 176.729 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 33.9 m-85 -78.81 -55.13 5.4 Favored 'General case' 0 C--N 1.321 -0.66 0 N-CA-C 113.54 0.941 . . . . 0.0 113.54 -176.579 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -62.22 -52.36 50.15 Favored Glycine 0 CA--C 1.495 -1.189 0 CA-C-N 115.844 -0.616 . . . . 0.0 112.484 -177.276 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 4.0 tp -60.29 -30.08 69.24 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 115.518 -0.341 . . . . 0.0 111.328 -179.833 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -54.02 -25.56 21.82 Favored 'General case' 0 C--O 1.207 -1.162 0 N-CA-C 112.183 0.438 . . . . 0.0 112.183 176.719 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.516 ' O ' ' HB3' ' A' ' 26' ' ' LEU . . . -66.79 -36.18 81.81 Favored 'General case' 0 C--O 1.212 -0.894 0 CA-C-O 121.026 0.441 . . . . 0.0 110.584 178.576 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 23' ' ' TRP . . . . . 0.411 ' O ' ' HB3' ' A' ' 27' ' ' ALA . 0.2 OUTLIER -91.39 -35.72 14.23 Favored 'General case' 0 C--N 1.305 -1.327 0 CA-C-O 121.287 0.565 . . . . 0.0 111.845 179.898 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -76.86 -60.76 2.22 Favored 'General case' 0 C--N 1.307 -1.279 0 CA-C-N 115.652 -0.704 . . . . 0.0 112.782 179.29 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 34.4 tp -82.34 -45.48 14.85 Favored 'General case' 0 C--N 1.313 -0.984 0 C-N-CA 123.756 0.823 . . . . 0.0 113.092 -174.272 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.516 ' HB3' ' O ' ' A' ' 22' ' ' ALA . 35.8 tp -81.32 -17.98 47.33 Favored 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 112.871 0.693 . . . . 0.0 112.871 -172.416 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' ALA . . . . . 0.411 ' HB3' ' O ' ' A' ' 23' ' ' TRP . . . . . . . . 0 C--N 1.279 -2.47 0 CA-C-O 118.414 -0.803 . . . . 0.0 111.47 -178.963 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 34.0 mmt180 . . . . . 0 CA--C 1.498 -1.049 0 N-CA-C 109.377 -0.601 . . . . 0.0 109.377 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 19.5 m120 74.04 157.79 0.2 Allowed 'General case' 0 CA--C 1.51 -0.571 0 N-CA-C 114.927 1.454 . . . . 0.0 114.927 172.306 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 16.8 ptmt -152.35 178.96 8.98 Favored 'General case' 0 C--N 1.299 -1.613 0 CA-C-N 114.13 -1.396 . . . . 0.0 107.332 177.483 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 24.0 tp -170.92 166.2 7.61 Favored 'General case' 0 C--N 1.296 -1.722 0 N-CA-C 105.595 -2.002 . . . . 0.0 105.595 -179.536 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -61.98 -35.03 77.28 Favored 'General case' 0 C--N 1.303 -1.425 0 CA-C-O 121.78 0.8 . . . . 0.0 110.76 177.071 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' TYR . . . . . 0.512 ' O ' ' HB3' ' A' ' 10' ' ' HIS . 96.1 m-85 -78.58 -25.23 45.25 Favored 'General case' 0 C--N 1.304 -1.392 0 CA-C-N 115.568 -0.742 . . . . 0.0 110.948 178.179 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 7' ' ' ASN . . . . . 0.498 ' O ' ' HB2' ' A' ' 11' ' ' TYR . 26.5 t-20 -76.22 -61.74 1.84 Allowed 'General case' 0 C--N 1.303 -1.433 0 CA-C-N 115.637 -0.711 . . . . 0.0 109.68 179.606 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 8' ' ' MET . . . . . 0.514 ' HA ' ' CE ' ' A' ' 8' ' ' MET . 3.3 mmt -78.53 -61.57 1.96 Allowed 'General case' 0 C--N 1.306 -1.315 0 N-CA-C 114.909 1.448 . . . . 0.0 114.909 -179.326 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -65.77 -46.55 82.37 Favored Glycine 0 C--O 1.247 0.951 0 C-N-CA 121.532 -0.366 . . . . 0.0 114.005 -173.387 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' HIS . . . . . 0.512 ' HB3' ' O ' ' A' ' 6' ' ' TYR . 58.8 t60 -64.34 -41.81 96.58 Favored 'General case' 0 C--N 1.321 -0.662 0 N-CA-C 110.11 -0.33 . . . . 0.0 110.11 -178.892 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.498 ' HB2' ' O ' ' A' ' 7' ' ' ASN . 16.5 m-85 -71.0 -33.73 70.67 Favored 'General case' 0 C--O 1.214 -0.805 0 N-CA-C 113.048 0.759 . . . . 0.0 113.048 177.146 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -60.26 -45.87 91.78 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-O 120.872 0.368 . . . . 0.0 110.289 178.627 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -68.93 -41.62 81.5 Favored Glycine 0 N--CA 1.442 -0.954 0 N-CA-C 110.813 -0.915 . . . . 0.0 110.813 177.836 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 12.4 mptt -60.24 -42.19 94.74 Favored 'General case' 0 C--N 1.323 -0.553 0 C-N-CA 123.285 0.634 . . . . 0.0 111.914 178.747 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -70.91 -27.28 63.66 Favored 'General case' 0 C--N 1.303 -1.416 0 CA-C-O 120.975 0.417 . . . . 0.0 110.963 179.03 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' THR . . . . . 0.503 ' O ' ' HB2' ' A' ' 20' ' ' LEU . 42.3 m -74.4 -38.52 63.08 Favored 'General case' 0 N--CA 1.435 -1.225 0 N-CA-C 109.772 -0.455 . . . . 0.0 109.772 177.612 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 7.8 tp -77.53 -54.25 13.0 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.061 0 C-N-CA 119.071 -1.051 . . . . 0.0 111.43 176.776 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 50.3 m-85 -78.44 -62.75 1.58 Allowed 'General case' 0 C--N 1.319 -0.731 0 N-CA-C 114.165 1.172 . . . . 0.0 114.165 -177.484 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -56.91 -49.11 73.6 Favored Glycine 0 CA--C 1.504 -0.596 0 O-C-N 123.271 0.357 . . . . 0.0 112.457 -177.711 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.503 ' HB2' ' O ' ' A' ' 16' ' ' THR . 4.1 mp -63.29 -30.93 71.98 Favored 'General case' 0 C--O 1.209 -1.077 0 N-CA-C 113.86 1.059 . . . . 0.0 113.86 176.77 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.422 ' O ' ' HB2' ' A' ' 25' ' ' LEU . . . -62.26 -30.97 71.49 Favored 'General case' 0 C--O 1.214 -0.79 0 CA-C-N 118.165 0.438 . . . . 0.0 110.478 176.277 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.645 ' O ' ' HB3' ' A' ' 26' ' ' LEU . . . -72.04 -31.43 66.16 Favored 'General case' 0 C--N 1.306 -1.321 0 CA-C-O 120.732 0.301 . . . . 0.0 110.796 177.976 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' TRP . . . . . 0.493 ' O ' ' HB3' ' A' ' 27' ' ' ALA . 1.4 t-105 -89.75 -42.97 11.0 Favored 'General case' 0 C--N 1.295 -1.766 0 C-N-CA 119.093 -1.043 . . . . 0.0 111.356 -179.333 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -75.98 -54.3 7.08 Favored 'General case' 0 C--N 1.302 -1.495 0 N-CA-C 112.656 0.613 . . . . 0.0 112.656 179.569 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.422 ' HB2' ' O ' ' A' ' 21' ' ' ALA . 85.2 mt -81.8 -26.78 34.09 Favored 'General case' 0 C--N 1.304 -1.377 0 N-CA-C 114.746 1.387 . . . . 0.0 114.746 -175.185 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.645 ' HB3' ' O ' ' A' ' 22' ' ' ALA . 24.5 tp -100.65 -27.29 13.47 Favored 'General case' 0 C--N 1.308 -1.209 0 N-CA-C 112.836 0.68 . . . . 0.0 112.836 -175.207 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' ALA . . . . . 0.493 ' HB3' ' O ' ' A' ' 23' ' ' TRP . . . . . . . . 0 C--N 1.277 -2.548 0 CA-C-O 118.196 -0.907 . . . . 0.0 112.211 -174.894 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 40.2 mmt180 . . . . . 0 CA--C 1.502 -0.896 0 N-CA-C 108.1 -1.074 . . . . 0.0 108.1 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 12.0 m120 -118.34 -44.93 2.65 Favored 'General case' 0 C--N 1.294 -1.816 0 CA-C-O 121.648 0.737 . . . . 0.0 109.902 176.747 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' LYS . . . . . 0.459 ' HG2' ' N ' ' A' ' 4' ' ' LEU . 21.6 ttpt -98.83 154.44 18.02 Favored 'General case' 0 C--N 1.291 -1.971 0 CA-C-N 114.992 -1.003 . . . . 0.0 109.382 -178.159 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.459 ' N ' ' HG2' ' A' ' 3' ' ' LYS . 36.9 tp -157.83 158.23 34.77 Favored 'General case' 0 C--N 1.305 -1.34 0 N-CA-C 106.311 -1.737 . . . . 0.0 106.311 176.563 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -58.26 -44.46 88.39 Favored 'General case' 0 C--N 1.315 -0.91 0 C-N-CA 123.331 0.653 . . . . 0.0 110.38 177.357 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' TYR . . . . . 0.558 ' O ' ' HB3' ' A' ' 10' ' ' HIS . 79.8 m-85 -75.16 -20.68 59.23 Favored 'General case' 0 C--N 1.304 -1.383 0 CA-C-N 115.3 -0.863 . . . . 0.0 112.132 178.807 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 7' ' ' ASN . . . . . 0.473 ' O ' ' HB2' ' A' ' 11' ' ' TYR . 28.5 t-20 -75.14 -58.92 2.98 Favored 'General case' 0 C--N 1.304 -1.394 0 CA-C-O 121.684 0.754 . . . . 0.0 109.372 178.215 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 8' ' ' MET . . . . . 0.458 ' HA ' ' CE ' ' A' ' 8' ' ' MET . 3.6 mmt -77.2 -57.17 3.98 Favored 'General case' 0 C--N 1.3 -1.575 0 N-CA-C 113.872 1.064 . . . . 0.0 113.872 -179.374 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -72.24 -46.76 32.99 Favored Glycine 0 C--O 1.24 0.524 0 C-N-CA 121.534 -0.365 . . . . 0.0 113.871 -172.412 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' HIS . . . . . 0.558 ' HB3' ' O ' ' A' ' 6' ' ' TYR . 81.6 t60 -67.8 -43.18 80.28 Favored 'General case' 0 C--N 1.314 -0.947 0 CA-C-O 121.079 0.466 . . . . 0.0 110.579 -177.366 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.473 ' HB2' ' O ' ' A' ' 7' ' ' ASN . 59.5 m-85 -69.14 -28.73 66.71 Favored 'General case' 0 C--O 1.199 -1.567 0 C-N-CA 120.51 -0.476 . . . . 0.0 111.97 176.508 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -56.76 -42.97 80.31 Favored 'General case' 0 N--CA 1.467 0.385 0 CA-C-N 117.994 0.361 . . . . 0.0 110.586 177.06 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -71.8 -46.5 37.7 Favored Glycine 0 N--CA 1.44 -1.076 0 C-N-CA 120.367 -0.921 . . . . 0.0 111.788 178.521 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 12.6 mptt -71.06 -31.55 68.0 Favored 'General case' 0 C--N 1.318 -0.769 0 N-CA-C 113.113 0.782 . . . . 0.0 113.113 -175.566 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -75.09 -28.98 60.49 Favored 'General case' 0 C--O 1.202 -1.42 0 C-N-CA 120.988 -0.285 . . . . 0.0 110.357 178.044 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 29.7 m -76.16 -37.62 57.7 Favored 'General case' 0 C--N 1.304 -1.372 0 C-N-CA 119.99 -0.684 . . . . 0.0 111.109 178.436 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 9.0 tp -77.8 -55.16 11.04 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.95 0 C-N-CA 118.615 -1.234 . . . . 0.0 111.254 176.982 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 40.5 m-85 -79.34 -61.94 1.85 Allowed 'General case' 0 C--N 1.322 -0.621 0 N-CA-C 113.829 1.048 . . . . 0.0 113.829 -178.274 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -55.71 -47.78 75.83 Favored Glycine 0 CA--C 1.503 -0.714 0 CA-C-N 115.607 -0.724 . . . . 0.0 113.465 -176.964 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 4.4 tp -65.16 -30.68 71.62 Favored 'General case' 0 N--CA 1.428 -1.526 0 CA-C-N 115.817 -0.191 . . . . 0.0 111.076 -178.811 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.401 ' O ' ' HB2' ' A' ' 25' ' ' LEU . . . -60.93 -28.33 68.86 Favored 'General case' 0 C--O 1.22 -0.448 0 CA-C-O 121.141 0.496 . . . . 0.0 110.698 177.458 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.554 ' O ' ' HB3' ' A' ' 26' ' ' LEU . . . -74.5 -31.85 62.32 Favored 'General case' 0 C--N 1.313 -0.994 0 CA-C-O 121.223 0.535 . . . . 0.0 110.572 178.522 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 23' ' ' TRP . . . . . 0.434 ' O ' ' HB3' ' A' ' 27' ' ' ALA . 0.4 OUTLIER -89.87 -46.21 8.71 Favored 'General case' 0 C--N 1.296 -1.732 0 N-CA-C 112.557 0.577 . . . . 0.0 112.557 -178.521 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -76.35 -55.81 5.21 Favored 'General case' 0 C--N 1.293 -1.874 0 CA-C-O 121.341 0.591 . . . . 0.0 111.992 -179.44 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.401 ' HB2' ' O ' ' A' ' 21' ' ' ALA . 78.1 mt -81.68 -31.06 32.38 Favored 'General case' 0 C--N 1.316 -0.862 0 N-CA-C 114.789 1.403 . . . . 0.0 114.789 -174.881 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.554 ' HB3' ' O ' ' A' ' 22' ' ' ALA . 60.6 tp -99.31 -19.76 16.88 Favored 'General case' 0 C--N 1.31 -1.124 0 N-CA-C 112.564 0.579 . . . . 0.0 112.564 -173.122 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' ALA . . . . . 0.434 ' HB3' ' O ' ' A' ' 23' ' ' TRP . . . . . . . . 0 C--N 1.285 -2.218 0 CA-C-O 118.214 -0.898 . . . . 0.0 111.976 -176.474 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 50.8 mtt-85 . . . . . 0 CA--C 1.494 -1.196 0 N-CA-C 108.132 -1.062 . . . . 0.0 108.132 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 43.5 m-80 -82.85 111.66 18.95 Favored 'General case' 0 C--N 1.305 -1.341 0 N-CA-C 107.956 -1.127 . . . . 0.0 107.956 174.907 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' LYS . . . . . 0.433 ' HE2' ' HB3' ' A' ' 3' ' ' LYS . 28.9 ttpt -142.54 139.01 31.28 Favored 'General case' 0 C--N 1.299 -1.592 0 N-CA-C 108.583 -0.895 . . . . 0.0 108.583 177.605 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 36.2 tp -177.01 167.24 2.46 Favored 'General case' 0 C--N 1.312 -1.058 0 N-CA-C 105.697 -1.964 . . . . 0.0 105.697 -177.35 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -62.73 -34.73 77.78 Favored 'General case' 0 C--N 1.31 -1.125 0 CA-C-O 121.92 0.867 . . . . 0.0 110.439 177.431 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' TYR . . . . . 0.639 ' O ' ' HB3' ' A' ' 10' ' ' HIS . 76.8 m-85 -80.41 -17.0 53.11 Favored 'General case' 0 C--N 1.305 -1.356 0 CA-C-N 115.328 -0.851 . . . . 0.0 111.584 176.363 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 7' ' ' ASN . . . . . 0.499 ' O ' ' HB2' ' A' ' 11' ' ' TYR . 26.1 t-20 -77.54 -60.85 2.2 Favored 'General case' 0 C--N 1.294 -1.841 0 CA-C-O 121.532 0.682 . . . . 0.0 109.403 175.3 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 8' ' ' MET . . . . . 0.456 ' HA ' ' CE ' ' A' ' 8' ' ' MET . 2.8 mmt -76.4 -61.9 1.8 Allowed 'General case' 0 C--O 1.207 -1.162 0 N-CA-C 113.009 0.744 . . . . 0.0 113.009 -176.438 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -62.19 -46.13 94.59 Favored Glycine 0 C--O 1.238 0.376 0 N-CA-C 114.234 0.454 . . . . 0.0 114.234 -175.797 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' HIS . . . . . 0.639 ' HB3' ' O ' ' A' ' 6' ' ' TYR . 44.3 t60 -65.93 -42.94 89.44 Favored 'General case' 0 C--N 1.316 -0.867 0 CA-C-O 120.367 0.127 . . . . 0.0 110.99 -178.801 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.499 ' HB2' ' O ' ' A' ' 7' ' ' ASN . 35.2 m-85 -73.04 -35.18 66.68 Favored 'General case' 0 CA--C 1.496 -1.128 0 N-CA-C 112.877 0.695 . . . . 0.0 112.877 177.579 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -59.27 -42.05 90.29 Favored 'General case' 0 CA--C 1.508 -0.64 0 N-CA-C 109.628 -0.508 . . . . 0.0 109.628 177.58 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -63.13 -47.42 88.46 Favored Glycine 0 N--CA 1.443 -0.87 0 C-N-CA 120.753 -0.737 . . . . 0.0 111.619 177.509 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 12.5 mptt -68.4 -39.07 81.78 Favored 'General case' 0 CA--C 1.507 -0.694 0 N-CA-C 112.645 0.609 . . . . 0.0 112.645 -177.92 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -72.97 -32.29 65.11 Favored 'General case' 0 C--N 1.301 -1.509 0 CA-C-N 116.601 -0.272 . . . . 0.0 110.977 179.679 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' THR . . . . . 0.408 HG23 HD22 ' A' ' 20' ' ' LEU . 43.6 m -75.97 -37.28 58.74 Favored 'General case' 0 C--N 1.303 -1.435 0 C-N-CA 120.317 -0.553 . . . . 0.0 111.544 177.662 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 10.6 tp -77.04 -54.66 12.56 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.924 0 C-N-CA 118.628 -1.229 . . . . 0.0 111.371 178.565 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 53.1 m-85 -79.18 -61.16 2.1 Favored 'General case' 0 C--N 1.318 -0.794 0 N-CA-C 113.964 1.098 . . . . 0.0 113.964 -179.543 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -57.75 -52.72 50.39 Favored Glycine 0 CA--C 1.501 -0.798 0 CA-C-N 115.571 -0.741 . . . . 0.0 113.096 -175.489 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.408 HD22 HG23 ' A' ' 16' ' ' THR . 2.3 tp -61.71 -29.88 70.39 Favored 'General case' 0 C--N 1.309 -1.169 0 N-CA-C 111.517 0.191 . . . . 0.0 111.517 -179.884 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -60.39 -29.69 69.11 Favored 'General case' 0 C--N 1.35 0.589 0 CA-C-O 120.761 0.315 . . . . 0.0 110.862 178.713 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.675 ' O ' ' HB3' ' A' ' 26' ' ' LEU . . . -70.61 -31.61 68.64 Favored 'General case' 0 C--N 1.315 -0.894 0 CA-C-O 121.168 0.509 . . . . 0.0 110.765 178.02 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 23' ' ' TRP . . . . . 0.482 ' O ' ' HB3' ' A' ' 27' ' ' ALA . 0.8 OUTLIER -90.75 -40.6 11.73 Favored 'General case' 0 C--N 1.301 -1.542 0 C-N-CA 119.541 -0.864 . . . . 0.0 111.772 -178.923 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -76.76 -60.67 2.25 Favored 'General case' 0 C--N 1.304 -1.388 0 CA-C-O 121.333 0.587 . . . . 0.0 111.905 179.623 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 96.1 mt -81.84 -28.19 33.17 Favored 'General case' 0 C--N 1.312 -1.063 0 N-CA-C 114.599 1.333 . . . . 0.0 114.599 -173.439 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.675 ' HB3' ' O ' ' A' ' 22' ' ' ALA . 28.8 tp -94.15 -27.41 16.23 Favored 'General case' 0 C--N 1.31 -1.114 0 N-CA-C 112.724 0.638 . . . . 0.0 112.724 -175.107 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' ALA . . . . . 0.482 ' HB3' ' O ' ' A' ' 23' ' ' TRP . . . . . . . . 0 C--N 1.278 -2.518 0 CA-C-O 118.384 -0.817 . . . . 0.0 112.275 -173.432 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 21.2 mtp180 . . . . . 0 N--CA 1.456 -0.16 0 CA-C-O 120.791 0.329 . . . . 0.0 111.609 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 25.6 p-10 -97.75 155.25 17.11 Favored 'General case' 0 C--N 1.308 -1.238 0 N-CA-C 108.236 -1.024 . . . . 0.0 108.236 177.432 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' LYS . . . . . 0.422 ' HB3' ' HE2' ' A' ' 3' ' ' LYS . 26.9 ttpt -136.28 145.56 45.68 Favored 'General case' 0 C--N 1.312 -1.044 0 C-N-CA 120.486 -0.486 . . . . 0.0 111.336 -175.57 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 35.3 tp -171.68 167.93 6.37 Favored 'General case' 0 C--O 1.241 0.658 0 N-CA-C 106.526 -1.657 . . . . 0.0 106.526 177.073 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -61.17 -41.98 97.74 Favored 'General case' 0 CA--C 1.513 -0.466 0 N-CA-C 112.349 0.5 . . . . 0.0 112.349 -175.83 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' TYR . . . . . 0.58 ' O ' ' HB3' ' A' ' 10' ' ' HIS . 92.0 m-85 -79.28 -22.95 43.97 Favored 'General case' 0 C--N 1.3 -1.545 0 C-N-CA 120.528 -0.469 . . . . 0.0 111.162 178.739 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 7' ' ' ASN . . . . . 0.466 ' O ' ' HB2' ' A' ' 11' ' ' TYR . 51.1 t-20 -75.54 -61.61 1.85 Allowed 'General case' 0 C--N 1.297 -1.691 0 C-N-CA 120.143 -0.623 . . . . 0.0 109.367 -179.847 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -77.6 -50.77 11.84 Favored 'General case' 0 C--N 1.297 -1.68 0 CA-C-N 115.828 -0.624 . . . . 0.0 112.192 -176.803 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -74.15 -45.82 24.03 Favored Glycine 0 N--CA 1.447 -0.587 0 N-CA-C 114.425 0.53 . . . . 0.0 114.425 -173.293 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' HIS . . . . . 0.58 ' HB3' ' O ' ' A' ' 6' ' ' TYR . 60.7 t60 -67.23 -36.46 81.73 Favored 'General case' 0 C--N 1.312 -1.034 0 CA-C-O 121.001 0.429 . . . . 0.0 110.087 -178.466 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.466 ' HB2' ' O ' ' A' ' 7' ' ' ASN . 25.8 m-85 -72.61 -29.67 63.68 Favored 'General case' 0 N--CA 1.442 -0.841 0 N-CA-C 112.393 0.516 . . . . 0.0 112.393 174.945 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -62.38 -46.13 90.03 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 109.2 -0.667 . . . . 0.0 109.2 175.756 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -63.86 -45.85 93.16 Favored Glycine 0 C--N 1.321 -0.29 0 N-CA-C 111.104 -0.798 . . . . 0.0 111.104 177.391 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.407 ' HB2' ' HA ' ' A' ' 11' ' ' TYR . 9.9 mptt -56.32 -51.44 68.23 Favored 'General case' 0 C--N 1.325 -0.466 0 C-N-CA 124.036 0.935 . . . . 0.0 111.046 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -70.62 -27.62 64.22 Favored 'General case' 0 C--O 1.208 -1.085 0 CA-C-N 115.612 -0.722 . . . . 0.0 111.614 -177.586 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' THR . . . . . 0.519 ' O ' ' HB2' ' A' ' 20' ' ' LEU . 91.2 m -75.16 -39.54 60.29 Favored 'General case' 0 C--N 1.304 -1.397 0 C-N-CA 120.45 -0.5 . . . . 0.0 110.774 177.86 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 8.3 tp -77.75 -54.27 12.83 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.381 0 C-N-CA 118.44 -1.304 . . . . 0.0 111.805 177.836 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 40.7 m-85 -79.02 -62.04 1.82 Allowed 'General case' 0 C--N 1.318 -0.764 0 N-CA-C 113.465 0.913 . . . . 0.0 113.465 -178.139 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -56.52 -47.44 83.94 Favored Glycine 0 CA--C 1.502 -0.73 0 CA-C-N 116.253 -0.43 . . . . 0.0 113.142 -177.449 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.519 ' HB2' ' O ' ' A' ' 16' ' ' THR . 4.1 mp -65.0 -32.18 73.77 Favored 'General case' 0 C--O 1.2 -1.539 0 N-CA-C 113.081 0.771 . . . . 0.0 113.081 176.366 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.509 ' O ' ' HB3' ' A' ' 25' ' ' LEU . . . -65.4 -26.71 68.11 Favored 'General case' 0 C--O 1.208 -1.102 0 CA-C-N 118.086 0.403 . . . . 0.0 110.474 175.98 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.502 ' O ' ' HB3' ' A' ' 26' ' ' LEU . . . -72.63 -32.65 66.07 Favored 'General case' 0 C--N 1.308 -1.22 0 C-N-CA 120.402 -0.519 . . . . 0.0 110.105 177.766 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' TRP . . . . . 0.493 ' O ' ' HB3' ' A' ' 27' ' ' ALA . 0.3 OUTLIER -91.0 -42.44 10.54 Favored 'General case' 0 C--O 1.205 -1.275 0 N-CA-C 113.392 0.886 . . . . 0.0 113.392 -179.448 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -76.79 -56.36 4.67 Favored 'General case' 0 C--N 1.297 -1.687 0 N-CA-C 112.521 0.563 . . . . 0.0 112.521 178.521 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.509 ' HB3' ' O ' ' A' ' 21' ' ' ALA . 32.6 tp -81.33 -42.88 19.9 Favored 'General case' 0 C--N 1.311 -1.099 0 N-CA-C 113.614 0.968 . . . . 0.0 113.614 -173.708 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.502 ' HB3' ' O ' ' A' ' 22' ' ' ALA . 37.0 tp -88.36 -17.18 31.13 Favored 'General case' 0 C--N 1.315 -0.923 0 N-CA-C 113.05 0.759 . . . . 0.0 113.05 -171.693 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' ALA . . . . . 0.493 ' HB3' ' O ' ' A' ' 23' ' ' TRP . . . . . . . . 0 C--N 1.286 -2.168 0 CA-C-O 119.017 -0.516 . . . . 0.0 112.053 -176.586 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 91.0 mtt180 . . . . . 0 CA--C 1.502 -0.871 0 N-CA-C 108.7 -0.852 . . . . 0.0 108.7 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 20.2 m120 72.17 14.57 5.58 Favored 'General case' 0 CA--C 1.511 -0.529 0 C-N-CA 124.425 1.09 . . . . 0.0 113.34 176.327 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 22.9 ttpt -61.08 133.87 56.48 Favored 'General case' 0 C--O 1.238 0.491 0 N-CA-C 108.281 -1.007 . . . . 0.0 108.281 177.087 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.427 ' HG ' ' H ' ' A' ' 6' ' ' TYR . 56.2 tp -169.33 157.94 7.8 Favored 'General case' 0 C--N 1.295 -1.79 0 N-CA-C 106.991 -1.485 . . . . 0.0 106.991 -173.929 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -53.69 -38.54 64.31 Favored 'General case' 0 C--N 1.316 -0.863 0 O-C-N 123.907 0.755 . . . . 0.0 111.059 175.495 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' TYR . . . . . 0.475 ' O ' ' HB3' ' A' ' 10' ' ' HIS . 71.0 m-85 -76.96 -23.19 52.37 Favored 'General case' 0 C--N 1.315 -0.906 0 CA-C-N 115.893 -0.594 . . . . 0.0 112.009 177.498 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 7' ' ' ASN . . . . . 0.527 ' O ' ' HB2' ' A' ' 11' ' ' TYR . 26.6 t-20 -75.62 -57.22 4.01 Favored 'General case' 0 C--O 1.198 -1.657 0 CA-C-O 121.597 0.713 . . . . 0.0 109.612 178.011 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 8' ' ' MET . . . . . 0.487 ' HA ' ' CE ' ' A' ' 8' ' ' MET . 3.0 mmt -77.34 -60.51 2.34 Favored 'General case' 0 C--N 1.29 -1.983 0 N-CA-C 112.97 0.73 . . . . 0.0 112.97 -178.775 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -69.22 -46.18 58.59 Favored Glycine 0 N--CA 1.443 -0.859 0 CA-C-N 115.76 -0.655 . . . . 0.0 113.984 -173.525 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' HIS . . . . . 0.475 ' HB3' ' O ' ' A' ' 6' ' ' TYR . 72.1 t60 -72.07 -39.9 68.69 Favored 'General case' 0 C--N 1.314 -0.944 0 C-N-CA 120.217 -0.593 . . . . 0.0 111.757 -176.826 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.527 ' HB2' ' O ' ' A' ' 7' ' ' ASN . 26.9 m-85 -63.95 -32.07 73.47 Favored 'General case' 0 CA--C 1.491 -1.323 0 C-N-CA 120.593 -0.443 . . . . 0.0 111.454 175.704 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -56.23 -37.77 70.17 Favored 'General case' 0 C--O 1.224 -0.242 0 O-C-N 123.5 0.5 . . . . 0.0 110.499 178.732 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -70.13 -47.81 43.07 Favored Glycine 0 N--CA 1.443 -0.873 0 C-N-CA 120.549 -0.834 . . . . 0.0 111.61 177.518 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -68.94 -32.67 72.43 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 112.35 0.5 . . . . 0.0 112.35 -178.003 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -74.91 -28.5 60.65 Favored 'General case' 0 C--N 1.304 -1.386 0 CA-C-N 116.645 -0.252 . . . . 0.0 110.741 178.296 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 45.6 m -75.48 -38.27 59.65 Favored 'General case' 0 C--N 1.306 -1.311 0 C-N-CA 119.938 -0.705 . . . . 0.0 110.804 176.797 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 7.2 tp -77.44 -56.04 8.93 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.086 0 C-N-CA 118.601 -1.24 . . . . 0.0 111.489 177.469 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 32.5 m-85 -78.59 -53.64 6.98 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 113.537 0.94 . . . . 0.0 113.537 -177.504 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -63.54 -51.87 50.85 Favored Glycine 0 CA--C 1.501 -0.783 0 CA-C-N 115.694 -0.684 . . . . 0.0 112.401 -175.964 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 3.2 tp -60.15 -30.14 69.11 Favored 'General case' 0 C--N 1.316 -0.866 0 CA-C-O 119.735 -0.174 . . . . 0.0 111.227 -179.836 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.434 ' O ' ' HB2' ' A' ' 25' ' ' LEU . . . -59.87 -31.26 69.61 Favored 'General case' 0 C--O 1.214 -0.811 0 CA-C-O 120.727 0.299 . . . . 0.0 110.606 176.774 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.577 ' O ' ' HB3' ' A' ' 26' ' ' LEU . . . -72.44 -31.46 65.48 Favored 'General case' 0 C--O 1.21 -1.0 0 CA-C-O 120.871 0.367 . . . . 0.0 110.728 178.969 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -90.17 -42.85 10.82 Favored 'General case' 0 C--N 1.299 -1.597 0 C-N-CA 120.23 -0.588 . . . . 0.0 112.331 -178.281 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -76.14 -56.48 4.61 Favored 'General case' 0 C--N 1.307 -1.245 0 CA-C-O 121.574 0.702 . . . . 0.0 112.053 179.416 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.434 ' HB2' ' O ' ' A' ' 21' ' ' ALA . 95.0 mt -81.29 -36.09 30.28 Favored 'General case' 0 C--N 1.311 -1.076 0 N-CA-C 114.278 1.214 . . . . 0.0 114.278 -174.156 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.577 ' HB3' ' O ' ' A' ' 22' ' ' ALA . 29.2 tp -93.1 -22.19 19.25 Favored 'General case' 0 C--N 1.313 -0.987 0 N-CA-C 113.178 0.807 . . . . 0.0 113.178 -172.961 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.282 -2.34 0 CA-C-O 118.758 -0.639 . . . . 0.0 111.518 -176.215 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 85.8 mtt180 . . . . . 0 CA--C 1.507 -0.691 0 N-CA-C 107.65 -1.241 . . . . 0.0 107.65 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 93.4 m-20 -113.72 119.13 36.33 Favored 'General case' 0 CA--C 1.487 -1.479 0 N-CA-C 109.737 -0.468 . . . . 0.0 109.737 178.924 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -84.91 100.85 11.88 Favored 'General case' 0 N--CA 1.419 -1.998 0 N-CA-C 108.719 -0.845 . . . . 0.0 108.719 176.056 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 22.2 tp -138.72 151.98 47.6 Favored 'General case' 0 C--N 1.288 -2.104 0 N-CA-C 106.871 -1.529 . . . . 0.0 106.871 -178.018 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -63.88 -28.6 69.95 Favored 'General case' 0 C--O 1.216 -0.682 0 O-C-N 124.096 0.873 . . . . 0.0 111.177 -178.494 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' TYR . . . . . 0.579 ' O ' ' HB3' ' A' ' 10' ' ' HIS . 98.7 m-85 -78.66 -29.16 45.56 Favored 'General case' 0 C--N 1.299 -1.588 0 CA-C-N 115.656 -0.702 . . . . 0.0 111.035 178.846 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 7' ' ' ASN . . . . . 0.453 ' O ' ' HB2' ' A' ' 11' ' ' TYR . 56.1 t30 -76.57 -60.45 2.34 Favored 'General case' 0 C--N 1.306 -1.287 0 CA-C-O 121.054 0.454 . . . . 0.0 110.006 179.067 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 8' ' ' MET . . . . . 0.494 ' HA ' ' CE ' ' A' ' 8' ' ' MET . 6.0 mmt -77.24 -61.11 2.09 Favored 'General case' 0 C--N 1.315 -0.894 0 N-CA-C 114.75 1.389 . . . . 0.0 114.75 -179.932 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -63.36 -46.59 92.41 Favored Glycine 0 CA--C 1.505 -0.539 0 N-CA-C 114.742 0.657 . . . . 0.0 114.742 -174.868 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' HIS . . . . . 0.579 ' HB3' ' O ' ' A' ' 6' ' ' TYR . 43.1 t60 -66.58 -40.58 88.99 Favored 'General case' 0 C--N 1.312 -1.043 0 CA-C-O 120.753 0.311 . . . . 0.0 110.452 -177.823 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.453 ' HB2' ' O ' ' A' ' 7' ' ' ASN . 49.0 m-85 -73.18 -28.6 62.3 Favored 'General case' 0 CA--C 1.506 -0.747 0 N-CA-C 113.485 0.92 . . . . 0.0 113.485 177.583 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -55.94 -43.16 77.18 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.011 0.434 . . . . 0.0 110.578 177.784 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -74.9 -42.03 31.58 Favored Glycine 0 N--CA 1.441 -1.004 0 C-N-CA 120.408 -0.901 . . . . 0.0 111.459 178.211 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 13.2 mptt -66.55 -36.43 82.65 Favored 'General case' 0 C--N 1.319 -0.757 0 N-CA-C 113.571 0.952 . . . . 0.0 113.571 -177.184 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -71.8 -28.1 63.38 Favored 'General case' 0 C--O 1.199 -1.576 0 C-N-CA 120.58 -0.448 . . . . 0.0 110.111 177.665 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 18.8 m -75.64 -40.9 55.45 Favored 'General case' 0 C--N 1.305 -1.355 0 C-N-CA 119.981 -0.688 . . . . 0.0 111.442 177.268 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 12.2 tt -77.53 -55.4 10.57 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.938 0 C-N-CA 118.679 -1.208 . . . . 0.0 111.969 177.64 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 22.1 m-85 -79.0 -56.14 4.61 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 121.334 0.587 . . . . 0.0 112.463 -176.766 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -59.87 -50.58 66.17 Favored Glycine 0 CA--C 1.501 -0.833 0 CA-C-N 115.028 -0.987 . . . . 0.0 113.112 -176.08 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 3.6 tp -63.31 -30.89 71.94 Favored 'General case' 0 N--CA 1.434 -1.266 0 CA-C-N 115.764 -0.218 . . . . 0.0 111.117 179.394 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.442 ' O ' ' HB2' ' A' ' 25' ' ' LEU . . . -65.4 -31.88 73.21 Favored 'General case' 0 C--O 1.2 -1.515 0 N-CA-C 109.837 -0.431 . . . . 0.0 109.837 175.961 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.61 ' O ' ' HB3' ' A' ' 26' ' ' LEU . . . -67.76 -31.53 71.5 Favored 'General case' 0 C--O 1.207 -1.17 0 CA-C-O 121.321 0.582 . . . . 0.0 110.049 176.851 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 23' ' ' TRP . . . . . 0.415 ' O ' ' HB3' ' A' ' 27' ' ' ALA . 0.1 OUTLIER -86.07 -43.88 12.74 Favored 'General case' 0 C--N 1.293 -1.886 0 C-N-CA 120.285 -0.566 . . . . 0.0 111.728 179.912 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -75.41 -54.41 7.1 Favored 'General case' 0 C--N 1.302 -1.461 0 CA-C-O 121.327 0.584 . . . . 0.0 111.942 -179.898 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.442 ' HB2' ' O ' ' A' ' 21' ' ' ALA . 83.2 mt -81.37 -34.93 31.39 Favored 'General case' 0 C--N 1.308 -1.216 0 N-CA-C 113.985 1.106 . . . . 0.0 113.985 -175.117 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.61 ' HB3' ' O ' ' A' ' 22' ' ' ALA . 41.3 tp -97.4 -20.02 18.07 Favored 'General case' 0 C--N 1.312 -1.045 0 N-CA-C 113.531 0.938 . . . . 0.0 113.531 -172.215 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' ALA . . . . . 0.415 ' HB3' ' O ' ' A' ' 23' ' ' TRP . . . . . . . . 0 C--N 1.282 -2.33 0 CA-C-O 118.131 -0.938 . . . . 0.0 111.741 -176.537 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 28.8 mmt180 . . . . . 0 CA--C 1.493 -1.231 0 N-CA-C 108.987 -0.746 . . . . 0.0 108.987 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 64.2 t30 -87.61 86.47 7.2 Favored 'General case' 0 C--N 1.307 -1.255 0 CA-C-O 121.838 0.828 . . . . 0.0 110.73 -178.954 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 19.8 ttpt -107.48 131.19 54.58 Favored 'General case' 0 C--N 1.299 -1.588 0 N-CA-C 108.371 -0.974 . . . . 0.0 108.371 -179.472 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.409 ' HG ' ' H ' ' A' ' 6' ' ' TYR . 46.8 tp -174.71 151.07 1.4 Allowed 'General case' 0 C--N 1.309 -1.179 0 N-CA-C 107.08 -1.452 . . . . 0.0 107.08 179.251 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -56.58 -29.31 61.92 Favored 'General case' 0 C--N 1.316 -0.849 0 C-N-CA 123.633 0.773 . . . . 0.0 111.881 178.69 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' TYR . . . . . 0.603 ' O ' ' HB3' ' A' ' 10' ' ' HIS . 97.3 m-85 -84.81 -18.64 34.3 Favored 'General case' 0 C--N 1.304 -1.401 0 CA-C-N 115.763 -0.653 . . . . 0.0 111.542 -178.802 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 7' ' ' ASN . . . . . 0.486 ' O ' ' HB2' ' A' ' 11' ' ' TYR . 81.3 m-20 -77.17 -59.5 2.75 Favored 'General case' 0 C--N 1.296 -1.75 0 CA-C-O 121.578 0.704 . . . . 0.0 109.322 174.979 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 8' ' ' MET . . . . . 0.462 ' HA ' ' CE ' ' A' ' 8' ' ' MET . 3.1 mmt -77.17 -61.48 1.97 Allowed 'General case' 0 C--N 1.304 -1.376 0 N-CA-C 113.861 1.06 . . . . 0.0 113.861 -178.127 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -67.6 -44.89 80.81 Favored Glycine 0 CA--C 1.505 -0.551 0 N-CA-C 114.555 0.582 . . . . 0.0 114.555 -175.126 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' HIS . . . . . 0.603 ' HB3' ' O ' ' A' ' 6' ' ' TYR . 12.0 t-80 -65.62 -39.72 91.8 Favored 'General case' 0 C--N 1.311 -1.094 0 C-N-CA 120.638 -0.425 . . . . 0.0 110.353 -179.608 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.486 ' HB2' ' O ' ' A' ' 7' ' ' ASN . 20.2 m-85 -68.29 -29.7 68.53 Favored 'General case' 0 CA--C 1.499 -0.996 0 N-CA-C 112.562 0.578 . . . . 0.0 112.562 176.112 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -57.77 -34.01 69.11 Favored 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 109.565 -0.531 . . . . 0.0 109.565 175.524 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' GLY . . . . . 0.418 ' O ' HG22 ' A' ' 17' ' ' ILE . . . -66.61 -51.52 41.21 Favored Glycine 0 N--CA 1.436 -1.32 0 C-N-CA 120.821 -0.704 . . . . 0.0 111.728 176.669 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.83 -35.72 75.01 Favored 'General case' 0 CA--C 1.497 -1.063 0 N-CA-C 112.461 0.541 . . . . 0.0 112.461 -176.004 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -71.43 -31.99 67.84 Favored 'General case' 0 C--N 1.305 -1.363 0 C-N-CA 120.631 -0.428 . . . . 0.0 111.214 -179.23 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' THR . . . . . 0.409 ' O ' ' HB2' ' A' ' 20' ' ' LEU . 24.6 m -75.56 -40.61 56.47 Favored 'General case' 0 C--N 1.305 -1.332 0 C-N-CA 120.055 -0.658 . . . . 0.0 110.81 178.344 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.418 HG22 ' O ' ' A' ' 13' ' ' GLY . 7.9 tp -77.41 -55.66 9.95 Favored 'Isoleucine or valine' 0 C--O 1.204 -1.301 0 C-N-CA 118.684 -1.206 . . . . 0.0 111.997 178.473 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 24.7 m-85 -78.88 -59.74 2.66 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 112.456 0.539 . . . . 0.0 112.456 -177.375 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -56.1 -52.2 50.78 Favored Glycine 0 N--CA 1.465 0.575 0 CA-C-N 115.559 -0.746 . . . . 0.0 112.451 -176.685 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.409 ' HB2' ' O ' ' A' ' 16' ' ' THR . 1.8 mp -63.24 -30.68 71.78 Favored 'General case' 0 C--N 1.309 -1.182 0 N-CA-C 113.279 0.844 . . . . 0.0 113.279 177.286 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.87 -27.51 69.39 Favored 'General case' 0 C--O 1.216 -0.703 0 CA-C-O 120.951 0.405 . . . . 0.0 110.637 177.324 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.565 ' O ' ' HB3' ' A' ' 26' ' ' LEU . . . -71.44 -32.22 68.1 Favored 'General case' 0 C--N 1.308 -1.229 0 CA-C-O 121.101 0.477 . . . . 0.0 110.323 179.445 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 23' ' ' TRP . . . . . 0.537 ' O ' ' HB3' ' A' ' 27' ' ' ALA . 0.3 OUTLIER -90.7 -42.3 10.8 Favored 'General case' 0 N--CA 1.429 -1.52 0 C-N-CA 120.322 -0.551 . . . . 0.0 112.174 -179.781 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -75.99 -58.6 3.19 Favored 'General case' 0 C--N 1.303 -1.431 0 N-CA-C 112.356 0.502 . . . . 0.0 112.356 178.621 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 97.1 mt -81.84 -35.95 28.84 Favored 'General case' 0 C--N 1.315 -0.918 0 N-CA-C 114.724 1.379 . . . . 0.0 114.724 -174.97 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.565 ' HB3' ' O ' ' A' ' 22' ' ' ALA . 41.4 tp -90.28 -17.76 26.83 Favored 'General case' 0 C--N 1.31 -1.115 0 N-CA-C 112.659 0.615 . . . . 0.0 112.659 -173.773 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' ALA . . . . . 0.537 ' HB3' ' O ' ' A' ' 23' ' ' TRP . . . . . . . . 0 C--N 1.287 -2.11 0 CA-C-O 118.105 -0.95 . . . . 0.0 111.401 -178.378 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 58.1 mtp180 . . . . . 0 N--CA 1.472 0.668 0 CA-C-O 121.618 0.723 . . . . 0.0 110.928 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 27.9 p-10 -110.22 4.46 20.99 Favored 'General case' 0 C--N 1.308 -1.222 0 CA-C-N 115.416 -0.811 . . . . 0.0 109.513 -178.894 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 21.5 ttpt -65.57 127.01 30.13 Favored 'General case' 0 N--CA 1.444 -0.759 0 CA-C-N 115.829 -0.623 . . . . 0.0 109.648 -178.876 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.411 ' H ' ' HB3' ' A' ' 7' ' ' ASN . 43.0 tp -163.78 164.41 23.66 Favored 'General case' 0 C--N 1.302 -1.459 0 N-CA-C 107.008 -1.479 . . . . 0.0 107.008 -177.005 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -58.6 -41.43 85.8 Favored 'General case' 0 C--N 1.314 -0.969 0 CA-C-O 121.487 0.661 . . . . 0.0 110.833 177.275 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' TYR . . . . . 0.492 ' O ' ' HB3' ' A' ' 10' ' ' HIS . 58.8 m-85 -75.74 -17.6 59.85 Favored 'General case' 0 C--N 1.301 -1.509 0 CA-C-N 115.906 -0.588 . . . . 0.0 112.308 178.482 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 7' ' ' ASN . . . . . 0.438 ' O ' ' HB2' ' A' ' 11' ' ' TYR . 14.8 t-20 -76.95 -62.31 1.69 Allowed 'General case' 0 C--N 1.304 -1.375 0 CA-C-O 121.188 0.518 . . . . 0.0 109.741 174.891 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 25.8 tpp -78.83 -61.51 1.99 Allowed 'General case' 0 C--N 1.31 -1.144 0 N-CA-C 114.306 1.224 . . . . 0.0 114.306 -178.977 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -65.15 -42.23 96.58 Favored Glycine 0 C--O 1.241 0.568 0 C-N-CA 121.417 -0.42 . . . . 0.0 113.691 -172.483 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' HIS . . . . . 0.492 ' HB3' ' O ' ' A' ' 6' ' ' TYR . 78.4 t60 -67.99 -45.19 74.8 Favored 'General case' 0 C--N 1.311 -1.073 0 N-CA-C 110.387 -0.227 . . . . 0.0 110.387 179.723 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.438 ' HB2' ' O ' ' A' ' 7' ' ' ASN . 27.3 m-85 -66.93 -38.17 85.69 Favored 'General case' 0 C--O 1.197 -1.67 0 C-N-CA 120.308 -0.557 . . . . 0.0 111.825 177.496 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -56.3 -43.19 78.67 Favored 'General case' 0 CA--C 1.508 -0.669 0 O-C-N 123.219 0.324 . . . . 0.0 110.303 178.801 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' GLY . . . . . 0.472 ' O ' HG22 ' A' ' 17' ' ' ILE . . . -62.31 -48.62 81.18 Favored Glycine 0 N--CA 1.432 -1.568 0 CA-C-N 115.662 -0.699 . . . . 0.0 111.833 177.535 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.659 ' N ' ' HE2' ' A' ' 14' ' ' LYS . 0.6 OUTLIER -73.95 -37.3 64.58 Favored 'General case' 0 C--N 1.325 -0.475 0 C-N-CA 120.678 -0.409 . . . . 0.0 111.769 -175.583 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -69.28 -34.36 74.62 Favored 'General case' 0 C--O 1.207 -1.16 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.27 -178.431 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 24.5 m -75.31 -37.51 60.78 Favored 'General case' 0 C--N 1.303 -1.452 0 C-N-CA 119.929 -0.708 . . . . 0.0 111.058 179.75 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.472 HG22 ' O ' ' A' ' 13' ' ' GLY . 11.0 tt -77.91 -55.15 11.01 Favored 'Isoleucine or valine' 0 N--CA 1.437 -1.107 0 C-N-CA 118.361 -1.336 . . . . 0.0 112.254 176.871 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 54.1 m-85 -79.33 -62.4 1.7 Allowed 'General case' 0 C--N 1.315 -0.932 0 N-CA-C 113.505 0.928 . . . . 0.0 113.505 -177.6 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -55.67 -47.87 75.0 Favored Glycine 0 CA--C 1.505 -0.569 0 CA-C-N 115.562 -0.744 . . . . 0.0 113.338 -177.369 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 1.9 tp -67.35 -30.61 70.46 Favored 'General case' 0 C--N 1.307 -1.278 0 C-N-CA 121.018 -0.273 . . . . 0.0 111.013 179.629 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -66.94 -26.37 66.81 Favored 'General case' 0 CA--C 1.507 -0.682 0 CA-C-O 121.061 0.457 . . . . 0.0 109.997 178.174 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.531 ' O ' ' HB3' ' A' ' 26' ' ' LEU . . . -67.57 -31.97 72.41 Favored 'General case' 0 N--CA 1.437 -1.091 0 CA-C-N 116.073 -0.512 . . . . 0.0 109.841 177.086 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 23' ' ' TRP . . . . . 0.483 ' CE3' ' HA ' ' A' ' 23' ' ' TRP . 0.1 OUTLIER -90.83 -39.91 12.08 Favored 'General case' 0 N--CA 1.435 -1.211 0 C-N-CA 120.5 -0.48 . . . . 0.0 112.074 179.737 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -76.72 -60.93 2.14 Favored 'General case' 0 C--N 1.305 -1.326 0 CA-C-O 121.193 0.52 . . . . 0.0 112.396 178.652 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 7.3 mp -81.87 -31.56 31.5 Favored 'General case' 0 C--N 1.314 -0.972 0 N-CA-C 114.068 1.136 . . . . 0.0 114.068 -174.734 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.531 ' HB3' ' O ' ' A' ' 22' ' ' ALA . 29.2 tp -97.95 -17.51 19.17 Favored 'General case' 0 C--N 1.316 -0.87 0 N-CA-C 113.168 0.803 . . . . 0.0 113.168 -172.916 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.28 -2.433 0 N-CA-C 112.78 0.659 . . . . 0.0 112.78 -174.746 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 55.3 mtm180 . . . . . 0 C--O 1.242 0.674 0 N-CA-C 109.338 -0.616 . . . . 0.0 109.338 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 48.0 t-20 -158.92 122.44 3.82 Favored 'General case' 0 C--N 1.31 -1.122 0 N-CA-C 108.029 -1.1 . . . . 0.0 108.029 179.234 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 14.7 ttpt -94.62 97.85 10.4 Favored 'General case' 0 C--N 1.298 -1.64 0 N-CA-C 107.757 -1.201 . . . . 0.0 107.757 179.179 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 17.6 tp -143.85 159.72 42.04 Favored 'General case' 0 C--N 1.29 -2.009 0 CA-C-N 115.66 -0.7 . . . . 0.0 109.349 -172.383 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -62.16 -36.54 82.15 Favored 'General case' 0 C--O 1.218 -0.591 0 CA-C-O 121.464 0.649 . . . . 0.0 111.121 179.782 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' TYR . . . . . 0.617 ' O ' ' HB3' ' A' ' 10' ' ' HIS . 93.3 m-85 -78.2 -30.82 49.14 Favored 'General case' 0 C--N 1.303 -1.43 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.561 178.969 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 7' ' ' ASN . . . . . 0.429 ' O ' ' HB2' ' A' ' 11' ' ' TYR . 0.2 OUTLIER -76.18 -52.24 10.48 Favored 'General case' 0 C--N 1.294 -1.843 0 C-N-CA 119.586 -0.845 . . . . 0.0 109.586 -179.106 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 8' ' ' MET . . . . . 0.4 ' CE ' ' HA ' ' A' ' 8' ' ' MET . 0.1 OUTLIER -78.22 -61.93 1.84 Allowed 'General case' 0 C--N 1.302 -1.461 0 C-N-CA 119.766 -0.774 . . . . 0.0 112.933 179.366 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -71.14 -44.33 54.12 Favored Glycine 0 N--CA 1.461 0.358 0 N-CA-C 115.045 0.778 . . . . 0.0 115.045 -173.196 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' HIS . . . . . 0.617 ' HB3' ' O ' ' A' ' 6' ' ' TYR . 81.2 t60 -66.13 -39.74 90.12 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.247 0.546 . . . . 0.0 109.623 -178.154 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.429 ' HB2' ' O ' ' A' ' 7' ' ' ASN . 24.3 m-85 -68.72 -37.13 79.25 Favored 'General case' 0 C--O 1.208 -1.101 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.652 175.189 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -56.13 -40.71 74.19 Favored 'General case' 0 CA--C 1.513 -0.45 0 O-C-N 123.549 0.531 . . . . 0.0 111.129 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -62.46 -43.45 99.01 Favored Glycine 0 N--CA 1.445 -0.762 0 C-N-CA 120.744 -0.741 . . . . 0.0 111.645 177.769 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 1.3 mptm? -74.65 -40.01 61.71 Favored 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 111.673 0.249 . . . . 0.0 111.673 -178.467 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -69.06 -30.17 68.45 Favored 'General case' 0 C--N 1.304 -1.401 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.674 -178.955 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 27.3 m -75.15 -38.03 61.13 Favored 'General case' 0 C--N 1.305 -1.36 0 C-N-CA 119.839 -0.744 . . . . 0.0 110.758 177.769 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 8.3 tp -78.32 -54.96 11.22 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.849 0 C-N-CA 118.2 -1.4 . . . . 0.0 111.945 177.031 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 35.0 m-85 -78.77 -54.41 6.12 Favored 'General case' 0 C--N 1.32 -0.687 0 N-CA-C 113.483 0.92 . . . . 0.0 113.483 -177.289 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -62.88 -51.41 55.84 Favored Glycine 0 CA--C 1.496 -1.136 0 CA-C-N 115.685 -0.689 . . . . 0.0 112.594 -176.087 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 3.8 tp -62.09 -30.53 71.06 Favored 'General case' 0 C--N 1.309 -1.156 0 O-C-N 123.681 0.283 . . . . 0.0 111.346 -179.48 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -61.75 -26.12 67.87 Favored 'General case' 0 C--O 1.214 -0.805 0 CA-C-O 120.756 0.312 . . . . 0.0 110.666 177.743 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.611 ' O ' ' HB3' ' A' ' 26' ' ' LEU . . . -69.32 -31.54 70.07 Favored 'General case' 0 N--CA 1.443 -0.781 0 CA-C-O 121.132 0.491 . . . . 0.0 110.272 178.13 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 23' ' ' TRP . . . . . 0.472 ' O ' ' HB3' ' A' ' 27' ' ' ALA . 0.1 OUTLIER -90.24 -39.17 12.95 Favored 'General case' 0 C--N 1.3 -1.567 0 C-N-CA 120.418 -0.513 . . . . 0.0 111.696 179.837 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -76.57 -60.78 2.2 Favored 'General case' 0 C--N 1.306 -1.309 0 CA-C-O 121.697 0.761 . . . . 0.0 112.632 178.703 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 97.3 mt -81.21 -36.46 30.03 Favored 'General case' 0 C--N 1.303 -1.446 0 N-CA-C 113.742 1.015 . . . . 0.0 113.742 -175.058 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.611 ' HB3' ' O ' ' A' ' 22' ' ' ALA . 31.0 tp -90.26 -17.12 28.01 Favored 'General case' 0 C--N 1.32 -0.69 0 N-CA-C 112.944 0.72 . . . . 0.0 112.944 -172.327 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 27' ' ' ALA . . . . . 0.472 ' HB3' ' O ' ' A' ' 23' ' ' TRP . . . . . . . . 0 C--N 1.285 -2.206 0 CA-C-O 118.211 -0.9 . . . . 0.0 111.361 -178.0 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 1' ' ' ARG . . . . . 0.524 ' N ' ' HD2' ' A' ' 1' ' ' ARG . 0.3 OUTLIER . . . . . 0 CA--C 1.494 -1.197 0 N-CA-C 106.859 -1.534 . . . . 0.0 106.859 . . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 15.0 m120 -129.85 100.79 5.6 Favored 'General case' 0 C--N 1.301 -1.516 0 C-N-CA 120.423 -0.511 . . . . 0.0 110.439 -174.596 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 13.9 ttpt -80.17 101.46 8.83 Favored 'General case' 0 C--N 1.296 -1.756 0 N-CA-C 106.964 -1.495 . . . . 0.0 106.964 173.72 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 54.3 tp -147.68 153.62 39.56 Favored 'General case' 0 C--N 1.284 -2.258 0 N-CA-C 108.048 -1.093 . . . . 0.0 108.048 -177.497 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -56.09 -47.1 78.66 Favored 'General case' 0 C--N 1.311 -1.091 0 O-C-N 124.011 0.819 . . . . 0.0 111.162 177.929 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' TYR . . . . . 0.615 ' O ' ' HB3' ' A' ' 10' ' ' HIS . 90.5 m-85 -68.67 -30.21 68.85 Favored 'General case' 0 C--N 1.298 -1.652 0 CA-C-N 115.567 -0.742 . . . . 0.0 112.802 -179.75 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 62.0 t30 -77.54 -58.06 3.48 Favored 'General case' 0 C--N 1.301 -1.543 0 C-N-CA 119.362 -0.935 . . . . 0.0 109.829 177.879 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' MET . . . . . 0.454 ' HA ' ' CE ' ' A' ' 8' ' ' MET . 4.6 mmt -75.89 -60.67 2.22 Favored 'General case' 0 C--N 1.308 -1.228 0 N-CA-C 113.247 0.832 . . . . 0.0 113.247 -174.958 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -70.0 -42.88 67.22 Favored Glycine 0 N--CA 1.445 -0.734 0 C-N-CA 120.835 -0.698 . . . . 0.0 113.462 -174.419 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' HIS . . . . . 0.615 ' HB3' ' O ' ' A' ' 6' ' ' TYR . 48.5 t60 -67.33 -43.74 80.81 Favored 'General case' 0 CA--C 1.544 0.747 0 C-N-CA 120.645 -0.422 . . . . 0.0 111.807 -177.476 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 63.7 m-85 -73.3 -30.54 63.46 Favored 'General case' 0 N--CA 1.471 0.602 0 C-N-CA 120.445 -0.502 . . . . 0.0 112.1 177.168 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -56.13 -44.04 78.79 Favored 'General case' 0 CA--C 1.501 -0.917 0 O-C-N 123.233 0.333 . . . . 0.0 111.504 -177.635 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' GLY . . . . . 0.518 ' O ' HG22 ' A' ' 17' ' ' ILE . . . -64.21 -47.12 88.21 Favored Glycine 0 N--CA 1.435 -1.376 0 C-N-CA 120.148 -1.025 . . . . 0.0 111.74 178.631 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 13.4 mptt -74.84 -40.75 60.86 Favored 'General case' 0 C--N 1.321 -0.646 0 N-CA-C 113.02 0.748 . . . . 0.0 113.02 -172.825 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -70.08 -34.42 73.15 Favored 'General case' 0 C--N 1.306 -1.308 0 C-N-CA 120.875 -0.33 . . . . 0.0 111.081 -178.078 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 20.0 m -75.55 -39.6 57.98 Favored 'General case' 0 C--N 1.3 -1.549 0 C-N-CA 121.038 -0.265 . . . . 0.0 111.201 -179.36 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.518 HG22 ' O ' ' A' ' 13' ' ' GLY . 9.3 tp -77.79 -54.95 11.56 Favored 'Isoleucine or valine' 0 C--O 1.206 -1.211 0 C-N-CA 118.496 -1.282 . . . . 0.0 111.592 177.812 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 26.3 m-85 -78.68 -61.3 2.05 Favored 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 113.385 0.883 . . . . 0.0 113.385 -176.152 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -58.69 -52.69 51.6 Favored Glycine 0 CA--C 1.502 -0.759 0 CA-C-N 115.702 -0.681 . . . . 0.0 112.289 -176.168 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 5.8 mp -61.02 -30.35 70.25 Favored 'General case' 0 CA--C 1.5 -0.961 0 N-CA-C 113.636 0.976 . . . . 0.0 113.636 177.52 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -59.22 -26.1 64.58 Favored 'General case' 0 C--O 1.21 -1.025 0 C-N-CA 121.218 -0.193 . . . . 0.0 111.205 176.33 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.574 ' O ' ' HB3' ' A' ' 26' ' ' LEU . . . -74.05 -34.06 63.93 Favored 'General case' 0 C--N 1.313 -0.982 0 C-N-CA 120.257 -0.577 . . . . 0.0 110.959 179.142 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 23' ' ' TRP . . . . . 0.572 ' O ' ' HB3' ' A' ' 27' ' ' ALA . 0.1 OUTLIER -91.13 -40.61 11.49 Favored 'General case' 0 C--O 1.204 -1.335 0 C-N-CA 119.542 -0.863 . . . . 0.0 112.176 -179.969 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -76.31 -58.32 3.35 Favored 'General case' 0 C--N 1.304 -1.411 0 CA-C-O 121.328 0.585 . . . . 0.0 112.474 177.541 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 20.4 tp -82.33 -34.8 28.38 Favored 'General case' 0 C--N 1.314 -0.942 0 N-CA-C 113.816 1.043 . . . . 0.0 113.816 -172.812 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.574 ' HB3' ' O ' ' A' ' 22' ' ' ALA . 50.3 tp -91.39 -17.14 26.29 Favored 'General case' 0 C--N 1.314 -0.956 0 N-CA-C 112.103 0.408 . . . . 0.0 112.103 -174.484 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 27' ' ' ALA . . . . . 0.572 ' HB3' ' O ' ' A' ' 23' ' ' TRP . . . . . . . . 0 C--N 1.283 -2.286 0 C-N-CA 120.245 -0.582 . . . . 0.0 111.435 -178.765 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 96.9 mtt180 . . . . . 0 CA--C 1.5 -0.962 0 N-CA-C 108.597 -0.89 . . . . 0.0 108.597 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 3.7 p-10 -145.69 177.01 9.21 Favored 'General case' 0 C--N 1.298 -1.653 0 N-CA-C 107.65 -1.241 . . . . 0.0 107.65 175.65 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' LYS . . . . . 0.423 ' HG2' ' N ' ' A' ' 4' ' ' LEU . 25.5 ttpt -119.06 161.82 19.63 Favored 'General case' 0 C--N 1.289 -2.036 0 N-CA-C 107.745 -1.205 . . . . 0.0 107.745 179.192 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.423 ' N ' ' HG2' ' A' ' 3' ' ' LYS . 20.4 tp -163.47 158.54 21.09 Favored 'General case' 0 C--N 1.304 -1.38 0 N-CA-C 105.736 -1.949 . . . . 0.0 105.736 178.959 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -68.84 -39.2 80.08 Favored 'General case' 0 C--N 1.311 -1.089 0 CA-C-N 118.172 0.442 . . . . 0.0 111.187 -177.894 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' TYR . . . . . 0.503 ' O ' ' HB3' ' A' ' 10' ' ' HIS . 86.6 m-85 -75.67 -19.14 59.36 Favored 'General case' 0 C--N 1.308 -1.237 0 CA-C-O 121.298 0.57 . . . . 0.0 111.379 176.186 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 7' ' ' ASN . . . . . 0.44 ' O ' ' HB2' ' A' ' 11' ' ' TYR . 22.5 t-20 -76.27 -61.17 2.03 Favored 'General case' 0 C--N 1.295 -1.765 0 CA-C-O 121.508 0.67 . . . . 0.0 109.974 174.87 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -76.99 -61.16 2.07 Favored 'General case' 0 C--N 1.301 -1.518 0 CA-C-N 115.583 -0.735 . . . . 0.0 112.494 -175.292 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -67.63 -43.18 86.35 Favored Glycine 0 CA--C 1.503 -0.696 0 CA-C-N 115.956 -0.566 . . . . 0.0 113.945 -173.244 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' HIS . . . . . 0.503 ' HB3' ' O ' ' A' ' 6' ' ' TYR . 37.6 t60 -67.49 -44.52 78.3 Favored 'General case' 0 C--N 1.32 -0.675 0 N-CA-C 109.739 -0.467 . . . . 0.0 109.739 -178.01 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.44 ' HB2' ' O ' ' A' ' 7' ' ' ASN . 48.7 m-85 -69.67 -29.41 66.84 Favored 'General case' 0 CA--C 1.502 -0.879 0 N-CA-C 112.828 0.677 . . . . 0.0 112.828 178.303 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -59.24 -38.42 79.97 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.181 0.515 . . . . 0.0 109.982 176.324 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -72.66 -48.11 23.98 Favored Glycine 0 N--CA 1.435 -1.417 0 CA-C-N 115.621 -0.718 . . . . 0.0 111.566 177.064 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.443 ' HD2' ' CD2' ' A' ' 10' ' ' HIS . 6.6 mtpm? -65.48 -37.39 86.7 Favored 'General case' 0 C--N 1.317 -0.845 0 N-CA-C 113.905 1.076 . . . . 0.0 113.905 -175.545 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -72.71 -28.88 62.94 Favored 'General case' 0 C--N 1.305 -1.368 0 C-N-CA 120.857 -0.337 . . . . 0.0 110.458 178.427 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' THR . . . . . 0.459 ' O ' ' HB2' ' A' ' 20' ' ' LEU . 34.0 m -75.69 -41.07 54.75 Favored 'General case' 0 N--CA 1.433 -1.307 0 CA-C-O 120.856 0.36 . . . . 0.0 110.794 178.138 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 7.3 tp -77.24 -55.6 10.21 Favored 'Isoleucine or valine' 0 C--O 1.209 -1.054 0 C-N-CA 119.274 -0.971 . . . . 0.0 111.634 178.663 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 40.3 m-85 -78.79 -61.16 2.1 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 113.495 0.924 . . . . 0.0 113.495 -177.461 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -56.68 -52.38 50.88 Favored Glycine 0 CA--C 1.503 -0.656 0 CA-C-N 115.393 -0.821 . . . . 0.0 112.4 -176.439 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.459 ' HB2' ' O ' ' A' ' 16' ' ' THR . 4.5 mp -62.08 -31.71 72.17 Favored 'General case' 0 C--O 1.204 -1.31 0 N-CA-C 113.646 0.98 . . . . 0.0 113.646 177.026 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.498 ' O ' ' HB2' ' A' ' 25' ' ' LEU . . . -62.87 -31.5 72.56 Favored 'General case' 0 C--O 1.211 -0.96 0 CA-C-N 118.337 0.517 . . . . 0.0 110.336 177.054 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.664 ' O ' ' HB3' ' A' ' 26' ' ' LEU . . . -72.64 -31.59 65.24 Favored 'General case' 0 C--N 1.303 -1.43 0 CA-C-O 120.979 0.419 . . . . 0.0 110.948 177.797 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 23' ' ' TRP . . . . . 0.478 ' O ' ' HB3' ' A' ' 27' ' ' ALA . 0.3 OUTLIER -89.78 -40.22 12.62 Favored 'General case' 0 C--O 1.191 -2.003 0 C-N-CA 118.833 -1.147 . . . . 0.0 111.632 -179.263 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -76.62 -52.99 8.64 Favored 'General case' 0 C--N 1.301 -1.542 0 N-CA-C 113.075 0.768 . . . . 0.0 113.075 178.488 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.498 ' HB2' ' O ' ' A' ' 21' ' ' ALA . 9.1 mp -81.86 -33.14 30.76 Favored 'General case' 0 C--N 1.318 -0.78 0 N-CA-C 114.397 1.258 . . . . 0.0 114.397 -176.247 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.664 ' HB3' ' O ' ' A' ' 22' ' ' ALA . 41.5 tp -95.76 -21.98 17.8 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 113.117 0.784 . . . . 0.0 113.117 -171.735 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 27' ' ' ALA . . . . . 0.478 ' HB3' ' O ' ' A' ' 23' ' ' TRP . . . . . . . . 0 C--N 1.282 -2.364 0 CA-C-O 118.364 -0.827 . . . . 0.0 111.608 -178.241 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 50.5 mtt180 . . . . . 0 CA--C 1.499 -0.993 0 N-CA-C 107.894 -1.15 . . . . 0.0 107.894 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 14.9 m120 -141.37 147.16 37.6 Favored 'General case' 0 CA--C 1.486 -1.516 0 CA-C-N 115.601 -0.727 . . . . 0.0 109.259 -175.081 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 19.2 ttpt -156.07 119.46 4.31 Favored 'General case' 0 N--CA 1.419 -2.021 0 N-CA-C 106.191 -1.781 . . . . 0.0 106.191 175.017 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 29.5 tp -153.17 153.45 32.77 Favored 'General case' 0 C--N 1.292 -1.924 0 N-CA-C 108.2 -1.037 . . . . 0.0 108.2 178.248 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -59.45 -38.76 81.57 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 121.598 0.713 . . . . 0.0 110.475 178.667 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' TYR . . . . . 0.494 ' HA ' ' HB2' ' A' ' 10' ' ' HIS . 61.7 m-85 -82.51 -26.31 32.64 Favored 'General case' 0 C--N 1.302 -1.493 0 CA-C-N 115.422 -0.808 . . . . 0.0 112.543 -179.873 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 7' ' ' ASN . . . . . 0.446 ' O ' ' HB2' ' A' ' 11' ' ' TYR . 96.4 m-20 -75.32 -56.17 4.98 Favored 'General case' 0 C--N 1.308 -1.227 0 C-N-CA 120.358 -0.537 . . . . 0.0 110.22 178.385 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -76.92 -61.34 2.01 Favored 'General case' 0 C--N 1.299 -1.59 0 CA-C-N 116.003 -0.544 . . . . 0.0 112.023 -178.685 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -71.06 -44.1 55.4 Favored Glycine 0 CA--C 1.5 -0.893 0 CA-C-N 115.686 -0.688 . . . . 0.0 114.44 -171.194 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' HIS . . . . . 0.494 ' HB2' ' HA ' ' A' ' 6' ' ' TYR . 41.3 t60 -70.06 -39.16 75.83 Favored 'General case' 0 C--N 1.31 -1.136 0 C-N-CA 120.171 -0.611 . . . . 0.0 110.223 -176.118 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.446 ' HB2' ' O ' ' A' ' 7' ' ' ASN . 42.9 m-85 -68.44 -28.65 67.25 Favored 'General case' 0 CA--C 1.5 -0.952 0 N-CA-C 112.529 0.566 . . . . 0.0 112.529 175.665 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -58.46 -37.93 76.48 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 109.805 -0.442 . . . . 0.0 109.805 176.563 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -75.18 -46.34 16.37 Favored Glycine 0 N--CA 1.442 -0.936 0 N-CA-C 111.257 -0.737 . . . . 0.0 111.257 177.037 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 1.2 mptm? -61.57 -41.35 97.26 Favored 'General case' 0 CA--C 1.511 -0.537 0 N-CA-C 113.401 0.889 . . . . 0.0 113.401 -178.968 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -71.61 -27.46 63.13 Favored 'General case' 0 C--N 1.303 -1.415 0 CA-C-O 120.662 0.268 . . . . 0.0 110.559 179.45 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 60.3 m -75.88 -38.96 57.34 Favored 'General case' 0 C--N 1.299 -1.59 0 C-N-CA 120.051 -0.66 . . . . 0.0 111.272 176.678 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -77.82 -54.78 11.85 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.978 0 C-N-CA 118.732 -1.187 . . . . 0.0 110.322 177.403 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 41.5 m-85 -78.55 -57.78 3.59 Favored 'General case' 0 C--N 1.314 -0.94 0 N-CA-C 113.308 0.855 . . . . 0.0 113.308 -177.248 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -59.51 -51.57 58.31 Favored Glycine 0 CA--C 1.503 -0.716 0 CA-C-N 115.791 -0.641 . . . . 0.0 112.454 -176.289 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 2.1 tp -61.51 -30.55 70.7 Favored 'General case' 0 C--N 1.313 -1.013 0 CA-C-O 119.705 -0.188 . . . . 0.0 111.235 179.828 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.15 -30.76 71.26 Favored 'General case' 0 C--O 1.219 -0.532 0 CA-C-N 117.928 0.331 . . . . 0.0 110.836 177.845 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.638 ' O ' ' HB3' ' A' ' 26' ' ' LEU . . . -68.74 -31.72 70.99 Favored 'General case' 0 C--N 1.313 -1.0 0 CA-C-O 121.351 0.596 . . . . 0.0 110.129 178.719 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 0.5 OUTLIER -89.57 -40.07 12.86 Favored 'General case' 0 C--O 1.198 -1.647 0 C-N-CA 119.941 -0.703 . . . . 0.0 111.77 179.733 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -76.15 -58.51 3.24 Favored 'General case' 0 C--N 1.307 -1.276 0 CA-C-O 121.383 0.611 . . . . 0.0 112.48 179.876 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -81.79 -27.05 33.91 Favored 'General case' 0 C--N 1.313 -0.995 0 N-CA-C 114.957 1.466 . . . . 0.0 114.957 -175.042 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.638 ' HB3' ' O ' ' A' ' 22' ' ' ALA . 40.2 tp -98.57 -27.46 14.01 Favored 'General case' 0 C--N 1.315 -0.894 0 N-CA-C 112.353 0.501 . . . . 0.0 112.353 -175.23 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.287 -2.144 0 CA-C-O 118.583 -0.722 . . . . 0.0 112.256 -176.218 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 1.3 tmm_? . . . . . 0 N--CA 1.447 -0.603 0 N-CA-C 105.938 -1.875 . . . . 0.0 105.938 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 1.2 m-20 -122.07 161.08 23.68 Favored 'General case' 0 C--N 1.308 -1.203 0 N-CA-C 107.849 -1.167 . . . . 0.0 107.849 -173.431 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 14.9 ttpt -94.13 113.94 25.98 Favored 'General case' 0 C--N 1.299 -1.606 0 N-CA-C 107.727 -1.212 . . . . 0.0 107.727 175.941 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.44 ' HG ' ' H ' ' A' ' 6' ' ' TYR . 51.5 tp -133.04 145.53 50.89 Favored 'General case' 0 C--N 1.285 -2.196 0 N-CA-C 109.335 -0.617 . . . . 0.0 109.335 -178.848 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -61.28 -33.94 74.38 Favored 'General case' 0 C--O 1.208 -1.11 0 C-N-CA 123.27 0.628 . . . . 0.0 111.692 -179.228 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' TYR . . . . . 0.558 ' O ' ' HB3' ' A' ' 10' ' ' HIS . 89.5 m-85 -73.01 -30.93 64.13 Favored 'General case' 0 C--N 1.296 -1.72 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.349 177.919 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 10.3 m120 -76.55 -61.48 1.95 Allowed 'General case' 0 C--N 1.304 -1.387 0 CA-C-O 121.349 0.595 . . . . 0.0 110.395 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 26.5 tpp -77.89 -61.67 1.92 Allowed 'General case' 0 C--O 1.201 -1.461 0 N-CA-C 113.221 0.823 . . . . 0.0 113.221 -179.649 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -61.71 -50.11 69.47 Favored Glycine 0 N--CA 1.468 0.797 0 N-CA-C 114.117 0.407 . . . . 0.0 114.117 -173.008 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' HIS . . . . . 0.558 ' HB3' ' O ' ' A' ' 6' ' ' TYR . 21.6 t60 -62.25 -43.58 98.5 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 120.573 0.225 . . . . 0.0 110.838 -177.743 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 39.4 m-85 -73.27 -35.06 66.13 Favored 'General case' 0 C--O 1.208 -1.129 0 N-CA-C 113.096 0.776 . . . . 0.0 113.096 177.937 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -56.59 -37.38 70.54 Favored 'General case' 0 C--O 1.218 -0.555 0 CA-C-O 120.546 0.212 . . . . 0.0 110.784 179.843 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -66.18 -46.57 78.77 Favored Glycine 0 N--CA 1.44 -1.037 0 C-N-CA 120.827 -0.702 . . . . 0.0 111.718 177.303 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 13.4 mptt -74.71 -38.51 62.31 Favored 'General case' 0 C--N 1.317 -0.822 0 N-CA-C 112.523 0.564 . . . . 0.0 112.523 -176.736 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -67.61 -31.23 71.11 Favored 'General case' 0 C--N 1.31 -1.122 0 CA-C-N 116.498 -0.319 . . . . 0.0 110.989 179.288 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' THR . . . . . 0.491 ' HA ' HD13 ' A' ' 20' ' ' LEU . 91.6 m -74.7 -39.08 62.16 Favored 'General case' 0 N--CA 1.429 -1.499 0 C-N-CA 120.932 -0.307 . . . . 0.0 111.154 178.216 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 8.6 tp -77.2 -54.16 13.38 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.245 0 C-N-CA 118.319 -1.352 . . . . 0.0 111.358 178.48 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 33.2 m-85 -78.42 -62.41 1.69 Allowed 'General case' 0 C--N 1.314 -0.954 0 N-CA-C 113.507 0.928 . . . . 0.0 113.507 -177.683 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -58.55 -51.3 59.61 Favored Glycine 0 CA--C 1.499 -0.947 0 CA-C-N 115.543 -0.753 . . . . 0.0 112.678 -175.967 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.491 HD13 ' HA ' ' A' ' 16' ' ' THR . 6.8 mp -62.33 -30.55 71.24 Favored 'General case' 0 C--O 1.197 -1.665 0 N-CA-C 113.406 0.891 . . . . 0.0 113.406 176.409 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.446 ' O ' ' HB2' ' A' ' 25' ' ' LEU . . . -64.36 -35.58 81.33 Favored 'General case' 0 C--N 1.302 -1.478 0 C-N-CA 119.647 -0.821 . . . . 0.0 110.051 174.803 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.545 ' O ' ' HB3' ' A' ' 26' ' ' LEU . . . -74.78 -32.55 62.05 Favored 'General case' 0 C--N 1.306 -1.294 0 CA-C-O 121.437 0.637 . . . . 0.0 110.535 -179.681 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 23' ' ' TRP . . . . . 0.436 ' O ' ' HB3' ' A' ' 27' ' ' ALA . 0.5 OUTLIER -89.6 -49.82 6.44 Favored 'General case' 0 C--N 1.295 -1.793 0 N-CA-C 113.55 0.944 . . . . 0.0 113.55 -177.77 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -76.34 -52.24 10.33 Favored 'General case' 0 C--N 1.293 -1.87 0 CA-C-O 121.385 0.612 . . . . 0.0 111.532 -178.552 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.446 ' HB2' ' O ' ' A' ' 21' ' ' ALA . 98.6 mt -81.89 -34.82 29.79 Favored 'General case' 0 C--N 1.317 -0.814 0 N-CA-C 114.593 1.331 . . . . 0.0 114.593 -175.263 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.545 ' HB3' ' O ' ' A' ' 22' ' ' ALA . 40.8 tp -97.98 -22.49 16.26 Favored 'General case' 0 C--N 1.311 -1.067 0 N-CA-C 113.326 0.861 . . . . 0.0 113.326 -172.455 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 27' ' ' ALA . . . . . 0.436 ' HB3' ' O ' ' A' ' 23' ' ' TRP . . . . . . . . 0 C--N 1.279 -2.476 0 CA-C-O 118.965 -0.54 . . . . 0.0 111.779 -175.688 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 39.4 mmt180 . . . . . 0 CA--C 1.498 -1.049 0 N-CA-C 108.795 -0.817 . . . . 0.0 108.795 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 28.8 t-20 -74.23 108.31 6.94 Favored 'General case' 0 C--N 1.311 -1.068 0 N-CA-C 109.212 -0.662 . . . . 0.0 109.212 177.341 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -132.35 121.39 23.43 Favored 'General case' 0 N--CA 1.415 -2.214 0 N-CA-C 106.023 -1.843 . . . . 0.0 106.023 178.562 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 17.7 tp -164.85 162.77 21.08 Favored 'General case' 0 C--N 1.302 -1.46 0 N-CA-C 107.78 -1.193 . . . . 0.0 107.78 -171.662 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -58.45 -39.13 79.02 Favored 'General case' 0 C--N 1.309 -1.155 0 C-N-CA 123.215 0.606 . . . . 0.0 110.069 176.628 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' TYR . . . . . 0.562 ' O ' ' HB3' ' A' ' 10' ' ' HIS . 70.0 m-85 -78.4 -14.0 59.59 Favored 'General case' 0 C--N 1.305 -1.33 0 CA-C-N 115.443 -0.798 . . . . 0.0 112.14 178.308 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 23.1 t-20 -76.57 -61.35 1.99 Allowed 'General case' 0 C--N 1.31 -1.142 0 N-CA-C 108.623 -0.88 . . . . 0.0 108.623 175.511 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 32.5 tpp -77.56 -58.79 3.08 Favored 'General case' 0 C--O 1.208 -1.125 0 N-CA-C 113.299 0.851 . . . . 0.0 113.299 -179.557 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -61.69 -47.67 88.97 Favored Glycine 0 C--O 1.239 0.438 0 O-C-N 123.192 0.308 . . . . 0.0 113.761 -172.695 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' HIS . . . . . 0.562 ' HB3' ' O ' ' A' ' 6' ' ' TYR . 39.9 t60 -63.97 -40.95 97.56 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-O 121.025 0.44 . . . . 0.0 110.767 -178.995 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 22.4 m-85 -73.47 -32.22 64.2 Favored 'General case' 0 C--O 1.2 -1.531 0 N-CA-C 112.823 0.675 . . . . 0.0 112.823 176.722 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -55.77 -44.9 78.15 Favored 'General case' 0 C--O 1.216 -0.67 0 C-N-CA 122.625 0.37 . . . . 0.0 111.396 -176.914 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -68.56 -37.41 85.14 Favored Glycine 0 C--N 1.313 -0.729 0 C-N-CA 120.332 -0.937 . . . . 0.0 112.202 179.396 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.454 ' HD3' ' O ' ' A' ' 10' ' ' HIS . 13.5 mptt -76.21 -30.28 57.93 Favored 'General case' 0 C--N 1.314 -0.974 0 CA-C-O 121.161 0.505 . . . . 0.0 111.725 -179.096 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -70.28 -30.63 67.7 Favored 'General case' 0 C--N 1.304 -1.41 0 CA-C-N 115.929 -0.578 . . . . 0.0 111.094 179.482 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 8.0 m -72.31 -36.31 68.87 Favored 'General case' 0 C--N 1.303 -1.413 0 C-N-CA 120.268 -0.573 . . . . 0.0 110.318 177.883 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 8.2 tp -77.84 -54.48 12.39 Favored 'Isoleucine or valine' 0 C--O 1.21 -0.98 0 C-N-CA 118.861 -1.136 . . . . 0.0 111.292 176.8 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 41.1 m-85 -78.24 -62.25 1.74 Allowed 'General case' 0 C--N 1.32 -0.7 0 N-CA-C 113.965 1.098 . . . . 0.0 113.965 -178.131 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -58.03 -50.01 69.95 Favored Glycine 0 CA--C 1.501 -0.804 0 CA-C-N 115.816 -0.629 . . . . 0.0 112.9 -175.598 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 3.7 tp -64.24 -29.95 71.02 Favored 'General case' 0 N--CA 1.434 -1.255 0 CA-C-N 115.313 -0.444 . . . . 0.0 111.445 -178.836 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -58.34 -26.12 62.74 Favored 'General case' 0 C--O 1.214 -0.8 0 N-CA-C 111.744 0.275 . . . . 0.0 111.744 179.523 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.554 ' O ' ' HB3' ' A' ' 26' ' ' LEU . . . -71.68 -33.32 68.73 Favored 'General case' 0 C--O 1.212 -0.879 0 CA-C-O 121.123 0.487 . . . . 0.0 110.217 -179.554 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 0.6 OUTLIER -90.86 -36.54 14.13 Favored 'General case' 0 C--N 1.305 -1.368 0 C-N-CA 120.174 -0.61 . . . . 0.0 112.171 178.571 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -76.36 -59.81 2.61 Favored 'General case' 0 C--N 1.309 -1.154 0 N-CA-C 112.407 0.521 . . . . 0.0 112.407 179.505 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 8.8 mp -81.95 -34.95 29.55 Favored 'General case' 0 C--N 1.311 -1.072 0 N-CA-C 114.162 1.171 . . . . 0.0 114.162 -175.636 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.554 ' HB3' ' O ' ' A' ' 22' ' ' ALA . 49.8 tp -93.4 -22.06 19.15 Favored 'General case' 0 C--N 1.318 -0.772 0 N-CA-C 113.365 0.876 . . . . 0.0 113.365 -172.969 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.279 -2.473 0 CA-C-O 118.517 -0.754 . . . . 0.0 111.961 -176.113 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 49.7 mtm180 . . . . . 0 CA--C 1.498 -1.038 0 N-CA-C 108.221 -1.029 . . . . 0.0 108.221 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 3.7 t-20 70.7 -71.95 0.12 Allowed 'General case' 0 N--CA 1.478 0.94 0 C-N-CA 124.596 1.158 . . . . 0.0 110.989 -178.931 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -113.95 147.96 37.67 Favored 'General case' 0 C--N 1.286 -2.158 0 N-CA-C 108.227 -1.027 . . . . 0.0 108.227 -179.908 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 19.6 tp -142.45 147.26 35.83 Favored 'General case' 0 C--N 1.301 -1.515 0 N-CA-C 106.084 -1.821 . . . . 0.0 106.084 175.725 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -58.12 -41.93 84.68 Favored 'General case' 0 C--N 1.316 -0.868 0 CA-C-O 121.674 0.749 . . . . 0.0 112.032 -176.832 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' TYR . . . . . 0.533 ' O ' ' HB3' ' A' ' 10' ' ' HIS . 97.0 m-85 -77.18 -28.9 54.14 Favored 'General case' 0 C--N 1.296 -1.737 0 CA-C-N 115.44 -0.8 . . . . 0.0 111.631 -179.723 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 3.0 m-20 -76.11 -49.62 16.9 Favored 'General case' 0 C--N 1.293 -1.876 0 C-N-CA 119.995 -0.682 . . . . 0.0 110.812 -179.617 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -77.38 -62.24 1.72 Allowed 'General case' 0 C--N 1.304 -1.413 0 CA-C-N 116.035 -0.53 . . . . 0.0 112.305 179.662 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -73.2 -41.41 46.91 Favored Glycine 0 N--CA 1.445 -0.702 0 N-CA-C 114.984 0.754 . . . . 0.0 114.984 -172.728 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' HIS . . . . . 0.533 ' HB3' ' O ' ' A' ' 6' ' ' TYR . 56.3 t60 -70.87 -39.12 73.07 Favored 'General case' 0 C--N 1.317 -0.84 0 C-N-CA 119.779 -0.769 . . . . 0.0 110.599 -176.929 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 54.1 m-85 -70.42 -31.54 68.79 Favored 'General case' 0 CA--C 1.501 -0.919 0 C-N-CA 120.734 -0.386 . . . . 0.0 112.001 175.248 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -59.26 -33.32 70.9 Favored 'General case' 0 C--O 1.217 -0.612 0 CA-C-O 121.042 0.448 . . . . 0.0 110.517 178.209 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -73.62 -49.39 14.58 Favored Glycine 0 N--CA 1.435 -1.393 0 C-N-CA 120.322 -0.942 . . . . 0.0 111.203 176.271 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 1.2 mptm? -68.28 -39.61 82.09 Favored 'General case' 0 CA--C 1.506 -0.726 0 N-CA-C 113.724 1.009 . . . . 0.0 113.724 -175.816 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -70.32 -30.08 66.96 Favored 'General case' 0 C--N 1.308 -1.198 0 C-N-CA 120.837 -0.345 . . . . 0.0 110.808 -179.387 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 21.1 m -76.09 -36.2 59.02 Favored 'General case' 0 C--N 1.307 -1.245 0 C-N-CA 119.825 -0.75 . . . . 0.0 110.927 178.336 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 7.8 tp -78.16 -55.47 10.05 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.859 0 C-N-CA 118.518 -1.273 . . . . 0.0 112.375 176.698 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 27.5 m-85 -78.78 -62.53 1.66 Allowed 'General case' 0 C--N 1.321 -0.649 0 N-CA-C 112.917 0.71 . . . . 0.0 112.917 -177.628 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -54.77 -50.18 59.0 Favored Glycine 0 CA--C 1.5 -0.898 0 CA-C-N 115.77 -0.65 . . . . 0.0 113.554 -178.019 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 4.1 tp -64.71 -30.83 71.85 Favored 'General case' 0 C--N 1.31 -1.126 0 C-N-CA 120.893 -0.323 . . . . 0.0 111.662 -179.693 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.46 -25.9 68.23 Favored 'General case' 0 C--O 1.218 -0.603 0 CA-C-O 120.571 0.224 . . . . 0.0 110.77 178.484 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.585 ' O ' ' HB3' ' A' ' 26' ' ' LEU . . . -69.63 -31.79 70.1 Favored 'General case' 0 C--O 1.21 -1.022 0 CA-C-O 121.024 0.44 . . . . 0.0 110.211 177.577 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 23' ' ' TRP . . . . . 0.423 ' O ' ' HB3' ' A' ' 27' ' ' ALA . 0.2 OUTLIER -90.45 -40.7 11.88 Favored 'General case' 0 N--CA 1.43 -1.442 0 C-N-CA 119.661 -0.816 . . . . 0.0 111.518 -179.934 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -75.76 -60.13 2.45 Favored 'General case' 0 C--N 1.301 -1.505 0 CA-C-O 121.29 0.566 . . . . 0.0 111.963 179.755 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -81.81 -32.83 31.08 Favored 'General case' 0 C--N 1.309 -1.173 0 N-CA-C 114.49 1.293 . . . . 0.0 114.49 -174.743 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.585 ' HB3' ' O ' ' A' ' 22' ' ' ALA . 35.8 tp -93.35 -17.68 23.27 Favored 'General case' 0 C--N 1.32 -0.706 0 N-CA-C 112.89 0.7 . . . . 0.0 112.89 -173.491 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 27' ' ' ALA . . . . . 0.423 ' HB3' ' O ' ' A' ' 23' ' ' TRP . . . . . . . . 0 C--N 1.284 -2.246 0 CA-C-O 119.073 -0.489 . . . . 0.0 111.034 -178.028 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 38.8 ttp180 . . . . . 0 C--O 1.239 0.552 0 CA-C-O 120.865 0.364 . . . . 0.0 110.472 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 46.5 t-20 -84.85 94.52 8.75 Favored 'General case' 0 C--N 1.313 -0.987 0 CA-C-O 122.101 0.953 . . . . 0.0 109.361 -177.287 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 18.7 ptmt -125.12 -177.76 3.97 Favored 'General case' 0 C--N 1.288 -2.108 0 CA-C-N 114.135 -1.393 . . . . 0.0 109.73 -176.817 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 19.7 tp -166.12 161.88 17.38 Favored 'General case' 0 C--N 1.296 -1.749 0 N-CA-C 104.227 -2.509 . . . . 0.0 104.227 177.74 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -63.71 -31.56 72.77 Favored 'General case' 0 C--N 1.304 -1.381 0 CA-C-O 121.776 0.798 . . . . 0.0 110.818 179.537 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' TYR . . . . . 0.568 ' O ' ' HB3' ' A' ' 10' ' ' HIS . 85.5 m-85 -85.15 -19.98 30.95 Favored 'General case' 0 C--N 1.307 -1.277 0 CA-C-N 115.527 -0.761 . . . . 0.0 111.548 177.331 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 22.7 t-20 -75.95 -60.22 2.42 Favored 'General case' 0 C--N 1.298 -1.665 0 CA-C-N 115.955 -0.566 . . . . 0.0 109.888 177.722 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' MET . . . . . 0.486 ' HA ' ' CE ' ' A' ' 8' ' ' MET . 1.7 mmt -77.29 -61.02 2.12 Favored 'General case' 0 C--N 1.303 -1.416 0 N-CA-C 113.756 1.021 . . . . 0.0 113.756 179.788 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -65.29 -49.46 61.3 Favored Glycine 0 C--N 1.318 -0.457 0 N-CA-C 114.528 0.571 . . . . 0.0 114.528 -174.161 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' HIS . . . . . 0.568 ' HB3' ' O ' ' A' ' 6' ' ' TYR . 76.3 t60 -64.29 -42.1 96.55 Favored 'General case' 0 C--N 1.314 -0.965 0 CA-C-O 120.824 0.345 . . . . 0.0 111.054 -177.478 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 32.9 m-85 -68.04 -35.53 78.4 Favored 'General case' 0 C--O 1.211 -0.938 0 C-N-CA 120.777 -0.369 . . . . 0.0 111.994 175.838 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -56.76 -41.59 77.85 Favored 'General case' 0 N--CA 1.468 0.452 0 CA-C-O 120.921 0.391 . . . . 0.0 110.553 179.021 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -64.95 -44.97 93.78 Favored Glycine 0 N--CA 1.437 -1.282 0 CA-C-N 115.646 -0.707 . . . . 0.0 112.526 178.562 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 1.5 mptm? -75.16 -37.95 61.1 Favored 'General case' 0 CA--C 1.503 -0.845 0 N-CA-C 112.526 0.565 . . . . 0.0 112.526 -176.708 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -67.6 -31.09 70.88 Favored 'General case' 0 C--N 1.31 -1.132 0 CA-C-N 116.54 -0.3 . . . . 0.0 111.586 -178.222 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 27.8 m -75.99 -38.96 56.83 Favored 'General case' 0 C--N 1.304 -1.391 0 C-N-CA 119.506 -0.878 . . . . 0.0 111.407 178.145 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 11.5 tt -77.62 -55.23 10.98 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.852 0 C-N-CA 118.65 -1.22 . . . . 0.0 111.748 178.705 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 41.1 m-85 -79.71 -62.4 1.7 Allowed 'General case' 0 C--N 1.319 -0.728 0 N-CA-C 113.465 0.913 . . . . 0.0 113.465 -178.526 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -54.51 -46.8 72.38 Favored Glycine 0 CA--C 1.501 -0.805 0 CA-C-N 115.383 -0.826 . . . . 0.0 113.637 -177.331 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 2.5 tp -66.33 -31.93 73.02 Favored 'General case' 0 N--CA 1.433 -1.295 0 C-N-CA 120.986 -0.286 . . . . 0.0 111.055 179.022 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -66.18 -28.58 68.87 Favored 'General case' 0 C--O 1.216 -0.702 0 CA-C-O 121.212 0.53 . . . . 0.0 109.973 177.371 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.594 ' O ' ' HB3' ' A' ' 26' ' ' LEU . . . -71.13 -31.26 67.52 Favored 'General case' 0 C--N 1.311 -1.108 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.174 176.557 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 23' ' ' TRP . . . . . 0.52 ' O ' ' HB3' ' A' ' 27' ' ' ALA . 0.2 OUTLIER -89.26 -43.16 11.17 Favored 'General case' 0 C--N 1.299 -1.62 0 N-CA-C 112.258 0.466 . . . . 0.0 112.258 -178.677 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -77.09 -60.57 2.31 Favored 'General case' 0 C--N 1.297 -1.7 0 CA-C-O 121.422 0.63 . . . . 0.0 111.858 178.154 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 86.3 mt -81.6 -24.35 36.51 Favored 'General case' 0 C--N 1.314 -0.973 0 N-CA-C 114.753 1.39 . . . . 0.0 114.753 -172.621 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.594 ' HB3' ' O ' ' A' ' 22' ' ' ALA . 47.4 tp -101.85 -18.11 15.88 Favored 'General case' 0 C--N 1.317 -0.825 0 CA-C-O 121.072 0.463 . . . . 0.0 112.138 -176.276 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 27' ' ' ALA . . . . . 0.52 ' HB3' ' O ' ' A' ' 23' ' ' TRP . . . . . . . . 0 C--N 1.291 -1.944 0 CA-C-O 118.217 -0.897 . . . . 0.0 111.222 -177.831 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 67.3 mtm180 . . . . . 0 CA--C 1.497 -1.08 0 N-CA-C 107.501 -1.296 . . . . 0.0 107.501 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 4.3 t-20 -172.7 -35.56 0.01 OUTLIER 'General case' 0 N--CA 1.476 0.862 0 CA-C-O 121.561 0.696 . . . . 0.0 110.502 -178.205 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' LYS . . . . . 0.473 ' HG2' ' N ' ' A' ' 4' ' ' LEU . 23.5 ttpt -87.07 158.39 19.22 Favored 'General case' 0 C--N 1.297 -1.682 0 CA-C-N 115.324 -0.853 . . . . 0.0 110.679 -175.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.531 ' HB3' ' OD1' ' A' ' 7' ' ' ASN . 44.8 tp -163.16 166.01 23.87 Favored 'General case' 0 C--N 1.304 -1.395 0 N-CA-C 104.959 -2.237 . . . . 0.0 104.959 175.833 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -56.15 -38.85 71.41 Favored 'General case' 0 C--N 1.31 -1.122 0 O-C-N 123.997 0.811 . . . . 0.0 111.693 178.937 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' TYR . . . . . 0.504 ' O ' ' HB3' ' A' ' 10' ' ' HIS . 94.1 m-85 -74.19 -29.55 61.81 Favored 'General case' 0 C--N 1.308 -1.233 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.821 178.656 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 7' ' ' ASN . . . . . 0.531 ' OD1' ' HB3' ' A' ' 4' ' ' LEU . 14.3 m120 -71.21 -60.68 2.1 Favored 'General case' 0 C--N 1.299 -1.61 0 CA-C-N 116.398 -0.364 . . . . 0.0 110.709 -178.698 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 26.3 tpp -78.63 -61.58 1.96 Allowed 'General case' 0 C--N 1.301 -1.521 0 N-CA-C 113.45 0.907 . . . . 0.0 113.45 178.001 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -64.7 -47.91 78.26 Favored Glycine 0 N--CA 1.459 0.207 0 CA-C-N 115.896 -0.593 . . . . 0.0 114.496 -172.059 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' HIS . . . . . 0.504 ' HB3' ' O ' ' A' ' 6' ' ' TYR . 78.0 t60 -67.38 -43.4 81.47 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 120.866 0.365 . . . . 0.0 110.31 -178.527 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.521 ' HB2' ' O ' ' A' ' 7' ' ' ASN . 24.9 m-85 -67.99 -28.84 67.77 Favored 'General case' 0 CA--C 1.491 -1.299 0 N-CA-C 113.081 0.771 . . . . 0.0 113.081 177.984 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -56.48 -37.64 70.62 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 120.867 0.365 . . . . 0.0 110.474 178.924 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -70.34 -45.78 52.95 Favored Glycine 0 N--CA 1.438 -1.175 0 C-N-CA 120.882 -0.675 . . . . 0.0 111.493 177.66 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.41 ' HD2' ' N ' ' A' ' 14' ' ' LYS . 0.5 OUTLIER -70.19 -32.81 70.91 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 112.126 0.417 . . . . 0.0 112.126 -178.38 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -70.55 -28.07 64.63 Favored 'General case' 0 C--O 1.203 -1.363 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.765 178.607 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' THR . . . . . 0.489 ' O ' ' HB2' ' A' ' 20' ' ' LEU . 28.0 m -74.87 -37.9 62.06 Favored 'General case' 0 C--N 1.309 -1.171 0 C-N-CA 120.386 -0.525 . . . . 0.0 109.693 177.333 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 7.7 tt -78.17 -56.36 7.76 Favored 'Isoleucine or valine' 0 C--O 1.207 -1.135 0 C-N-CA 118.302 -1.359 . . . . 0.0 111.85 177.17 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 52.2 m-85 -79.03 -53.27 7.19 Favored 'General case' 0 C--N 1.318 -0.763 0 N-CA-C 113.601 0.963 . . . . 0.0 113.601 -176.302 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -61.61 -52.61 49.81 Favored Glycine 0 CA--C 1.5 -0.87 0 CA-C-N 115.516 -0.765 . . . . 0.0 111.428 -177.224 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.489 ' HB2' ' O ' ' A' ' 16' ' ' THR . 2.5 mp -61.74 -30.85 71.05 Favored 'General case' 0 C--N 1.315 -0.912 0 N-CA-C 113.056 0.762 . . . . 0.0 113.056 177.575 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -59.44 -26.19 64.99 Favored 'General case' 0 C--O 1.214 -0.782 0 CA-C-O 120.527 0.203 . . . . 0.0 110.969 175.909 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.652 ' O ' ' HB3' ' A' ' 26' ' ' LEU . . . -70.86 -31.73 68.52 Favored 'General case' 0 C--O 1.212 -0.914 0 CA-C-O 120.811 0.339 . . . . 0.0 111.17 177.014 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 23' ' ' TRP . . . . . 0.418 ' O ' ' HB3' ' A' ' 27' ' ' ALA . 0.8 OUTLIER -90.61 -40.79 11.72 Favored 'General case' 0 C--N 1.306 -1.283 0 C-N-CA 119.567 -0.853 . . . . 0.0 111.103 -179.693 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -75.6 -60.62 2.23 Favored 'General case' 0 C--N 1.308 -1.213 0 N-CA-C 112.6 0.593 . . . . 0.0 112.6 178.166 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 7.7 mp -82.18 -24.99 34.66 Favored 'General case' 0 C--N 1.312 -1.057 0 N-CA-C 114.923 1.453 . . . . 0.0 114.923 -173.863 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.652 ' HB3' ' O ' ' A' ' 22' ' ' ALA . 16.1 tp -101.33 -24.33 14.23 Favored 'General case' 0 C--N 1.318 -0.786 0 N-CA-C 113.013 0.746 . . . . 0.0 113.013 -173.062 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 27' ' ' ALA . . . . . 0.418 ' HB3' ' O ' ' A' ' 23' ' ' TRP . . . . . . . . 0 C--N 1.275 -2.665 0 CA-C-N 115.65 -0.704 . . . . 0.0 112.474 -172.352 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 21.8 tp . . . . . 0 CA--C 1.509 -0.604 0 N-CA-C 107.361 -1.348 . . . . 0.0 107.361 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -59.35 -30.75 68.61 Favored 'General case' 0 C--N 1.317 -0.819 0 CA-C-O 121.919 0.866 . . . . 0.0 111.081 178.455 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' TYR . . . . . 0.508 ' O ' ' HB3' ' A' ' 10' ' ' HIS . 97.2 m-85 -83.95 -23.45 31.1 Favored 'General case' 0 C--N 1.311 -1.087 0 CA-C-N 115.379 -0.828 . . . . 0.0 110.969 178.38 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' ASN . . . . . 0.534 ' O ' ' HB2' ' A' ' 11' ' ' TYR . 22.2 t-20 -76.52 -61.05 2.09 Favored 'General case' 0 C--N 1.298 -1.664 0 CA-C-O 121.209 0.528 . . . . 0.0 110.49 177.263 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . 0.445 ' HA ' ' CE ' ' A' ' 8' ' ' MET . 1.5 mmt -77.68 -61.52 1.97 Allowed 'General case' 0 C--N 1.302 -1.5 0 N-CA-C 113.735 1.013 . . . . 0.0 113.735 -178.276 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -63.57 -44.46 96.51 Favored Glycine 0 CA--C 1.503 -0.688 0 N-CA-C 114.174 0.43 . . . . 0.0 114.174 -175.227 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' HIS . . . . . 0.508 ' HB3' ' O ' ' A' ' 6' ' ' TYR . 25.6 t60 -68.69 -40.11 80.21 Favored 'General case' 0 C--N 1.315 -0.914 0 C-N-CA 120.388 -0.525 . . . . 0.0 110.32 -178.325 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . 0.534 ' HB2' ' O ' ' A' ' 7' ' ' ASN . 13.0 m-85 -67.25 -33.37 75.19 Favored 'General case' 0 CA--C 1.497 -1.094 0 N-CA-C 112.295 0.48 . . . . 0.0 112.295 175.773 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -58.03 -37.27 74.04 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 109.857 -0.423 . . . . 0.0 109.857 177.277 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . 0.401 ' O ' HG22 ' A' ' 17' ' ' ILE . . . -64.3 -48.09 78.02 Favored Glycine 0 N--CA 1.444 -0.791 0 N-CA-C 111.092 -0.803 . . . . 0.0 111.092 176.448 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.504 ' HE2' ' CE1' ' A' ' 10' ' ' HIS . 5.0 mptp? -63.78 -46.75 83.78 Favored 'General case' 0 CA--C 1.507 -0.674 0 CA-C-O 120.907 0.384 . . . . 0.0 111.406 -179.365 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -66.59 -32.66 74.14 Favored 'General case' 0 C--N 1.306 -1.309 0 CA-C-N 115.811 -0.631 . . . . 0.0 111.614 -177.417 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 26.5 m -75.9 -36.09 59.59 Favored 'General case' 0 C--N 1.311 -1.091 0 C-N-CA 119.635 -0.826 . . . . 0.0 110.977 178.466 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.401 HG22 ' O ' ' A' ' 13' ' ' GLY . 9.0 tp -78.36 -54.92 11.27 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.946 0 C-N-CA 118.514 -1.274 . . . . 0.0 111.63 177.794 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 18.5 m-85 -79.2 -60.7 2.27 Favored 'General case' 0 C--N 1.315 -0.935 0 N-CA-C 112.982 0.734 . . . . 0.0 112.982 -177.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -57.75 -51.43 58.09 Favored Glycine 0 CA--C 1.497 -1.059 0 CA-C-N 115.476 -0.783 . . . . 0.0 112.608 -175.493 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 3.7 tp -63.25 -30.68 71.78 Favored 'General case' 0 C--O 1.205 -1.266 0 CA-C-N 115.487 -0.357 . . . . 0.0 111.651 -179.25 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -60.94 -35.13 75.92 Favored 'General case' 0 C--O 1.214 -0.81 0 CA-C-O 121.02 0.438 . . . . 0.0 110.291 178.59 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -69.7 -31.68 69.84 Favored 'General case' 0 C--N 1.312 -1.039 0 CA-C-O 121.461 0.648 . . . . 0.0 110.592 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 0.5 OUTLIER -89.89 -44.55 9.85 Favored 'General case' 0 C--N 1.292 -1.927 0 N-CA-C 113.392 0.886 . . . . 0.0 113.392 -177.839 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.29 -2.007 0 CA-C-O 121.524 0.678 . . . . 0.0 111.981 -179.727 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 24.9 tp . . . . . 0 N--CA 1.438 -1.037 0 N-CA-C 109.611 -0.515 . . . . 0.0 109.611 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -54.85 -39.81 69.01 Favored 'General case' 0 CA--C 1.513 -0.463 0 C-N-CA 124.611 1.164 . . . . 0.0 112.143 -177.692 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' TYR . . . . . 0.508 ' O ' ' HB3' ' A' ' 10' ' ' HIS . 88.9 m-85 -80.46 -19.75 45.33 Favored 'General case' 0 C--N 1.295 -1.772 0 CA-C-N 115.874 -0.603 . . . . 0.0 112.354 179.474 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' ASN . . . . . 0.482 ' O ' ' HB2' ' A' ' 11' ' ' TYR . 10.2 m120 -76.83 -62.93 1.48 Allowed 'General case' 0 C--O 1.196 -1.751 0 C-N-CA 118.615 -1.234 . . . . 0.0 108.526 178.032 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 35.2 tpp -78.79 -60.89 2.2 Favored 'General case' 0 C--N 1.31 -1.114 0 N-CA-C 114.147 1.166 . . . . 0.0 114.147 -176.871 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -60.47 -45.64 95.86 Favored Glycine 0 CA--C 1.506 -0.476 0 CA-C-N 116.361 -0.382 . . . . 0.0 113.51 -174.924 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' HIS . . . . . 0.508 ' HB3' ' O ' ' A' ' 6' ' ' TYR . 70.4 t60 -66.77 -43.28 84.43 Favored 'General case' 0 C--N 1.31 -1.117 0 CA-C-O 120.608 0.242 . . . . 0.0 111.122 -179.349 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . 0.482 ' HB2' ' O ' ' A' ' 7' ' ' ASN . 9.0 m-85 -68.14 -32.32 72.52 Favored 'General case' 0 CA--C 1.498 -1.022 0 N-CA-C 112.74 0.645 . . . . 0.0 112.74 178.203 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -56.53 -43.52 79.93 Favored 'General case' 0 CA--C 1.512 -0.516 0 O-C-N 123.256 0.347 . . . . 0.0 110.489 179.797 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -62.85 -39.11 97.6 Favored Glycine 0 N--CA 1.446 -0.683 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.975 179.335 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 1.3 mptm? -75.1 -33.78 61.66 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-O 121.109 0.481 . . . . 0.0 111.585 -179.916 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -72.89 -27.53 61.95 Favored 'General case' 0 C--N 1.307 -1.263 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.522 -179.257 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 19.9 m -74.93 -39.29 61.46 Favored 'General case' 0 C--N 1.308 -1.214 0 C-N-CA 120.058 -0.657 . . . . 0.0 110.35 176.895 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 12.1 tt -76.85 -55.41 10.91 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.823 0 C-N-CA 118.79 -1.164 . . . . 0.0 111.375 178.627 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 32.9 m-85 -78.9 -61.93 1.86 Allowed 'General case' 0 C--N 1.317 -0.831 0 N-CA-C 113.161 0.8 . . . . 0.0 113.161 -178.171 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -55.43 -47.83 73.63 Favored Glycine 0 CA--C 1.502 -0.739 0 CA-C-N 115.264 -0.88 . . . . 0.0 113.53 -176.377 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 1.6 tp -67.62 -31.16 70.99 Favored 'General case' 0 C--N 1.309 -1.186 0 C-N-CA 120.603 -0.439 . . . . 0.0 111.255 179.82 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -67.11 -26.43 66.7 Favored 'General case' 0 C--O 1.214 -0.784 0 CA-C-O 121.026 0.441 . . . . 0.0 110.012 178.295 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -66.93 -31.29 71.78 Favored 'General case' 0 C--N 1.313 -0.983 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.011 176.716 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 0.4 OUTLIER -89.99 -41.32 11.8 Favored 'General case' 0 N--CA 1.426 -1.637 0 C-N-CA 119.077 -1.049 . . . . 0.0 111.626 179.457 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.308 -1.233 0 N-CA-C 112.918 0.711 . . . . 0.0 112.918 -179.52 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 30.9 tp . . . . . 0 N--CA 1.416 -2.132 0 N-CA-C 106.727 -1.583 . . . . 0.0 106.727 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -60.42 -34.88 74.58 Favored 'General case' 0 C--N 1.312 -1.024 0 CA-C-O 121.148 0.499 . . . . 0.0 111.1 -179.507 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' TYR . . . . . 0.55 ' O ' ' HB3' ' A' ' 10' ' ' HIS . 98.3 m-85 -77.38 -27.81 52.65 Favored 'General case' 0 C--N 1.296 -1.756 0 CA-C-N 115.895 -0.593 . . . . 0.0 111.865 179.9 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 86.9 m-20 -77.23 -61.82 1.86 Allowed 'General case' 0 C--N 1.311 -1.091 0 C-N-CA 119.877 -0.729 . . . . 0.0 109.836 177.893 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 70.5 mmm -77.8 -61.06 2.12 Favored 'General case' 0 C--N 1.31 -1.123 0 CA-C-N 115.255 -0.884 . . . . 0.0 113.081 -176.446 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -63.39 -45.71 94.35 Favored Glycine 0 N--CA 1.463 0.47 0 CA-C-N 116.116 -0.493 . . . . 0.0 114.049 -173.682 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' HIS . . . . . 0.55 ' HB3' ' O ' ' A' ' 6' ' ' TYR . 10.1 t60 -63.35 -40.11 96.39 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.999 0.428 . . . . 0.0 110.533 -179.083 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 18.5 m-85 -73.04 -33.27 65.6 Favored 'General case' 0 C--O 1.203 -1.359 0 N-CA-C 112.273 0.471 . . . . 0.0 112.273 176.288 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -55.83 -50.62 70.05 Favored 'General case' 0 CA--C 1.501 -0.914 0 O-C-N 123.398 0.436 . . . . 0.0 111.087 -178.695 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -60.85 -40.55 98.41 Favored Glycine 0 N--CA 1.445 -0.739 0 O-C-N 123.682 0.614 . . . . 0.0 111.996 179.861 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.54 ' HE3' ' N ' ' A' ' 14' ' ' LYS . 0.7 OUTLIER -75.25 -33.47 61.3 Favored 'General case' 0 N--CA 1.443 -0.816 0 CA-C-O 120.711 0.291 . . . . 0.0 111.328 -177.333 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -71.97 -31.46 66.3 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-N 116.411 -0.359 . . . . 0.0 111.386 179.672 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 26.1 m -73.8 -36.87 65.06 Favored 'General case' 0 C--N 1.301 -1.516 0 C-N-CA 120.31 -0.556 . . . . 0.0 110.433 177.766 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 13.6 tt -78.36 -55.22 10.57 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.17 0 C-N-CA 118.013 -1.475 . . . . 0.0 112.227 176.729 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 33.9 m-85 -78.81 -55.13 5.4 Favored 'General case' 0 C--N 1.321 -0.66 0 N-CA-C 113.54 0.941 . . . . 0.0 113.54 -176.579 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -62.22 -52.36 50.15 Favored Glycine 0 CA--C 1.495 -1.189 0 CA-C-N 115.844 -0.616 . . . . 0.0 112.484 -177.276 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 4.0 tp -60.29 -30.08 69.24 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 115.518 -0.341 . . . . 0.0 111.328 -179.833 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -54.02 -25.56 21.82 Favored 'General case' 0 C--O 1.207 -1.162 0 N-CA-C 112.183 0.438 . . . . 0.0 112.183 176.719 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -66.79 -36.18 81.81 Favored 'General case' 0 C--O 1.212 -0.894 0 CA-C-O 121.026 0.441 . . . . 0.0 110.584 178.576 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -91.39 -35.72 14.23 Favored 'General case' 0 C--N 1.305 -1.327 0 CA-C-O 121.287 0.565 . . . . 0.0 111.845 179.898 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.307 -1.279 0 CA-C-N 115.652 -0.704 . . . . 0.0 112.782 179.29 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 24.0 tp . . . . . 0 CA--C 1.494 -1.191 0 N-CA-C 105.595 -2.002 . . . . 0.0 105.595 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -61.98 -35.03 77.28 Favored 'General case' 0 C--N 1.303 -1.425 0 CA-C-O 121.78 0.8 . . . . 0.0 110.76 177.071 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' TYR . . . . . 0.512 ' O ' ' HB3' ' A' ' 10' ' ' HIS . 96.1 m-85 -78.58 -25.23 45.25 Favored 'General case' 0 C--N 1.304 -1.392 0 CA-C-N 115.568 -0.742 . . . . 0.0 110.948 178.179 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' ASN . . . . . 0.498 ' O ' ' HB2' ' A' ' 11' ' ' TYR . 26.5 t-20 -76.22 -61.74 1.84 Allowed 'General case' 0 C--N 1.303 -1.433 0 CA-C-N 115.637 -0.711 . . . . 0.0 109.68 179.606 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . 0.514 ' HA ' ' CE ' ' A' ' 8' ' ' MET . 3.3 mmt -78.53 -61.57 1.96 Allowed 'General case' 0 C--N 1.306 -1.315 0 N-CA-C 114.909 1.448 . . . . 0.0 114.909 -179.326 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -65.77 -46.55 82.37 Favored Glycine 0 C--O 1.247 0.951 0 C-N-CA 121.532 -0.366 . . . . 0.0 114.005 -173.387 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' HIS . . . . . 0.512 ' HB3' ' O ' ' A' ' 6' ' ' TYR . 58.8 t60 -64.34 -41.81 96.58 Favored 'General case' 0 C--N 1.321 -0.662 0 N-CA-C 110.11 -0.33 . . . . 0.0 110.11 -178.892 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . 0.498 ' HB2' ' O ' ' A' ' 7' ' ' ASN . 16.5 m-85 -71.0 -33.73 70.67 Favored 'General case' 0 C--O 1.214 -0.805 0 N-CA-C 113.048 0.759 . . . . 0.0 113.048 177.146 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -60.26 -45.87 91.78 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-O 120.872 0.368 . . . . 0.0 110.289 178.627 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -68.93 -41.62 81.5 Favored Glycine 0 N--CA 1.442 -0.954 0 N-CA-C 110.813 -0.915 . . . . 0.0 110.813 177.836 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 12.4 mptt -60.24 -42.19 94.74 Favored 'General case' 0 C--N 1.323 -0.553 0 C-N-CA 123.285 0.634 . . . . 0.0 111.914 178.747 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -70.91 -27.28 63.66 Favored 'General case' 0 C--N 1.303 -1.416 0 CA-C-O 120.975 0.417 . . . . 0.0 110.963 179.03 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . 0.503 ' O ' ' HB2' ' A' ' 20' ' ' LEU . 42.3 m -74.4 -38.52 63.08 Favored 'General case' 0 N--CA 1.435 -1.225 0 N-CA-C 109.772 -0.455 . . . . 0.0 109.772 177.612 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 7.8 tp -77.53 -54.25 13.0 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.061 0 C-N-CA 119.071 -1.051 . . . . 0.0 111.43 176.776 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 50.3 m-85 -78.44 -62.75 1.58 Allowed 'General case' 0 C--N 1.319 -0.731 0 N-CA-C 114.165 1.172 . . . . 0.0 114.165 -177.484 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -56.91 -49.11 73.6 Favored Glycine 0 CA--C 1.504 -0.596 0 O-C-N 123.271 0.357 . . . . 0.0 112.457 -177.711 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.503 ' HB2' ' O ' ' A' ' 16' ' ' THR . 4.1 mp -63.29 -30.93 71.98 Favored 'General case' 0 C--O 1.209 -1.077 0 N-CA-C 113.86 1.059 . . . . 0.0 113.86 176.77 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.26 -30.97 71.49 Favored 'General case' 0 C--O 1.214 -0.79 0 CA-C-N 118.165 0.438 . . . . 0.0 110.478 176.277 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -72.04 -31.43 66.16 Favored 'General case' 0 C--N 1.306 -1.321 0 CA-C-O 120.732 0.301 . . . . 0.0 110.796 177.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' TRP . . . . . 0.448 ' CE3' ' HA ' ' A' ' 23' ' ' TRP . 1.4 t-105 -89.75 -42.97 11.0 Favored 'General case' 0 C--N 1.295 -1.766 0 C-N-CA 119.093 -1.043 . . . . 0.0 111.356 -179.333 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.302 -1.495 0 N-CA-C 112.656 0.613 . . . . 0.0 112.656 179.569 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 36.9 tp . . . . . 0 N--CA 1.434 -1.251 0 N-CA-C 106.311 -1.737 . . . . 0.0 106.311 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -58.26 -44.46 88.39 Favored 'General case' 0 C--N 1.315 -0.91 0 C-N-CA 123.331 0.653 . . . . 0.0 110.38 177.357 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' TYR . . . . . 0.558 ' O ' ' HB3' ' A' ' 10' ' ' HIS . 79.8 m-85 -75.16 -20.68 59.23 Favored 'General case' 0 C--N 1.304 -1.383 0 CA-C-N 115.3 -0.863 . . . . 0.0 112.132 178.807 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' ASN . . . . . 0.473 ' O ' ' HB2' ' A' ' 11' ' ' TYR . 28.5 t-20 -75.14 -58.92 2.98 Favored 'General case' 0 C--N 1.304 -1.394 0 CA-C-O 121.684 0.754 . . . . 0.0 109.372 178.215 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . 0.458 ' HA ' ' CE ' ' A' ' 8' ' ' MET . 3.6 mmt -77.2 -57.17 3.98 Favored 'General case' 0 C--N 1.3 -1.575 0 N-CA-C 113.872 1.064 . . . . 0.0 113.872 -179.374 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -72.24 -46.76 32.99 Favored Glycine 0 C--O 1.24 0.524 0 C-N-CA 121.534 -0.365 . . . . 0.0 113.871 -172.412 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' HIS . . . . . 0.558 ' HB3' ' O ' ' A' ' 6' ' ' TYR . 81.6 t60 -67.8 -43.18 80.28 Favored 'General case' 0 C--N 1.314 -0.947 0 CA-C-O 121.079 0.466 . . . . 0.0 110.579 -177.366 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . 0.473 ' HB2' ' O ' ' A' ' 7' ' ' ASN . 59.5 m-85 -69.14 -28.73 66.71 Favored 'General case' 0 C--O 1.199 -1.567 0 C-N-CA 120.51 -0.476 . . . . 0.0 111.97 176.508 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -56.76 -42.97 80.31 Favored 'General case' 0 N--CA 1.467 0.385 0 CA-C-N 117.994 0.361 . . . . 0.0 110.586 177.06 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -71.8 -46.5 37.7 Favored Glycine 0 N--CA 1.44 -1.076 0 C-N-CA 120.367 -0.921 . . . . 0.0 111.788 178.521 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 12.6 mptt -71.06 -31.55 68.0 Favored 'General case' 0 C--N 1.318 -0.769 0 N-CA-C 113.113 0.782 . . . . 0.0 113.113 -175.566 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -75.09 -28.98 60.49 Favored 'General case' 0 C--O 1.202 -1.42 0 C-N-CA 120.988 -0.285 . . . . 0.0 110.357 178.044 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 29.7 m -76.16 -37.62 57.7 Favored 'General case' 0 C--N 1.304 -1.372 0 C-N-CA 119.99 -0.684 . . . . 0.0 111.109 178.436 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 9.0 tp -77.8 -55.16 11.04 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.95 0 C-N-CA 118.615 -1.234 . . . . 0.0 111.254 176.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 40.5 m-85 -79.34 -61.94 1.85 Allowed 'General case' 0 C--N 1.322 -0.621 0 N-CA-C 113.829 1.048 . . . . 0.0 113.829 -178.274 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -55.71 -47.78 75.83 Favored Glycine 0 CA--C 1.503 -0.714 0 CA-C-N 115.607 -0.724 . . . . 0.0 113.465 -176.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 4.4 tp -65.16 -30.68 71.62 Favored 'General case' 0 N--CA 1.428 -1.526 0 CA-C-N 115.817 -0.191 . . . . 0.0 111.076 -178.811 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -60.93 -28.33 68.86 Favored 'General case' 0 C--O 1.22 -0.448 0 CA-C-O 121.141 0.496 . . . . 0.0 110.698 177.458 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -74.5 -31.85 62.32 Favored 'General case' 0 C--N 1.313 -0.994 0 CA-C-O 121.223 0.535 . . . . 0.0 110.572 178.522 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 0.4 OUTLIER -89.87 -46.21 8.71 Favored 'General case' 0 C--N 1.296 -1.732 0 N-CA-C 112.557 0.577 . . . . 0.0 112.557 -178.521 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.293 -1.874 0 CA-C-O 121.341 0.591 . . . . 0.0 111.992 -179.44 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 36.2 tp . . . . . 0 N--CA 1.438 -1.051 0 N-CA-C 105.697 -1.964 . . . . 0.0 105.697 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -62.73 -34.73 77.78 Favored 'General case' 0 C--N 1.31 -1.125 0 CA-C-O 121.92 0.867 . . . . 0.0 110.439 177.431 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' TYR . . . . . 0.639 ' O ' ' HB3' ' A' ' 10' ' ' HIS . 76.8 m-85 -80.41 -17.0 53.11 Favored 'General case' 0 C--N 1.305 -1.356 0 CA-C-N 115.328 -0.851 . . . . 0.0 111.584 176.363 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' ASN . . . . . 0.499 ' O ' ' HB2' ' A' ' 11' ' ' TYR . 26.1 t-20 -77.54 -60.85 2.2 Favored 'General case' 0 C--N 1.294 -1.841 0 CA-C-O 121.532 0.682 . . . . 0.0 109.403 175.3 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . 0.456 ' HA ' ' CE ' ' A' ' 8' ' ' MET . 2.8 mmt -76.4 -61.9 1.8 Allowed 'General case' 0 C--O 1.207 -1.162 0 N-CA-C 113.009 0.744 . . . . 0.0 113.009 -176.438 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -62.19 -46.13 94.59 Favored Glycine 0 C--O 1.238 0.376 0 N-CA-C 114.234 0.454 . . . . 0.0 114.234 -175.797 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' HIS . . . . . 0.639 ' HB3' ' O ' ' A' ' 6' ' ' TYR . 44.3 t60 -65.93 -42.94 89.44 Favored 'General case' 0 C--N 1.316 -0.867 0 CA-C-O 120.367 0.127 . . . . 0.0 110.99 -178.801 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . 0.499 ' HB2' ' O ' ' A' ' 7' ' ' ASN . 35.2 m-85 -73.04 -35.18 66.68 Favored 'General case' 0 CA--C 1.496 -1.128 0 N-CA-C 112.877 0.695 . . . . 0.0 112.877 177.579 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -59.27 -42.05 90.29 Favored 'General case' 0 CA--C 1.508 -0.64 0 N-CA-C 109.628 -0.508 . . . . 0.0 109.628 177.58 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -63.13 -47.42 88.46 Favored Glycine 0 N--CA 1.443 -0.87 0 C-N-CA 120.753 -0.737 . . . . 0.0 111.619 177.509 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 12.5 mptt -68.4 -39.07 81.78 Favored 'General case' 0 CA--C 1.507 -0.694 0 N-CA-C 112.645 0.609 . . . . 0.0 112.645 -177.92 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -72.97 -32.29 65.11 Favored 'General case' 0 C--N 1.301 -1.509 0 CA-C-N 116.601 -0.272 . . . . 0.0 110.977 179.679 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . 0.408 HG23 HD22 ' A' ' 20' ' ' LEU . 43.6 m -75.97 -37.28 58.74 Favored 'General case' 0 C--N 1.303 -1.435 0 C-N-CA 120.317 -0.553 . . . . 0.0 111.544 177.662 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 10.6 tp -77.04 -54.66 12.56 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.924 0 C-N-CA 118.628 -1.229 . . . . 0.0 111.371 178.565 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 53.1 m-85 -79.18 -61.16 2.1 Favored 'General case' 0 C--N 1.318 -0.794 0 N-CA-C 113.964 1.098 . . . . 0.0 113.964 -179.543 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -57.75 -52.72 50.39 Favored Glycine 0 CA--C 1.501 -0.798 0 CA-C-N 115.571 -0.741 . . . . 0.0 113.096 -175.489 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.408 HD22 HG23 ' A' ' 16' ' ' THR . 2.3 tp -61.71 -29.88 70.39 Favored 'General case' 0 C--N 1.309 -1.169 0 N-CA-C 111.517 0.191 . . . . 0.0 111.517 -179.884 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -60.39 -29.69 69.11 Favored 'General case' 0 C--N 1.35 0.589 0 CA-C-O 120.761 0.315 . . . . 0.0 110.862 178.713 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -70.61 -31.61 68.64 Favored 'General case' 0 C--N 1.315 -0.894 0 CA-C-O 121.168 0.509 . . . . 0.0 110.765 178.02 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 0.8 OUTLIER -90.75 -40.6 11.73 Favored 'General case' 0 C--N 1.301 -1.542 0 C-N-CA 119.541 -0.864 . . . . 0.0 111.772 -178.923 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.388 0 CA-C-O 121.333 0.587 . . . . 0.0 111.905 179.623 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 35.3 tp . . . . . 0 C--O 1.241 0.658 0 N-CA-C 106.526 -1.657 . . . . 0.0 106.526 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -61.17 -41.98 97.74 Favored 'General case' 0 CA--C 1.513 -0.466 0 N-CA-C 112.349 0.5 . . . . 0.0 112.349 -175.83 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' TYR . . . . . 0.58 ' O ' ' HB3' ' A' ' 10' ' ' HIS . 92.0 m-85 -79.28 -22.95 43.97 Favored 'General case' 0 C--N 1.3 -1.545 0 C-N-CA 120.528 -0.469 . . . . 0.0 111.162 178.739 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' ASN . . . . . 0.466 ' O ' ' HB2' ' A' ' 11' ' ' TYR . 51.1 t-20 -75.54 -61.61 1.85 Allowed 'General case' 0 C--N 1.297 -1.691 0 C-N-CA 120.143 -0.623 . . . . 0.0 109.367 -179.847 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -77.6 -50.77 11.84 Favored 'General case' 0 C--N 1.297 -1.68 0 CA-C-N 115.828 -0.624 . . . . 0.0 112.192 -176.803 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -74.15 -45.82 24.03 Favored Glycine 0 N--CA 1.447 -0.587 0 N-CA-C 114.425 0.53 . . . . 0.0 114.425 -173.293 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' HIS . . . . . 0.58 ' HB3' ' O ' ' A' ' 6' ' ' TYR . 60.7 t60 -67.23 -36.46 81.73 Favored 'General case' 0 C--N 1.312 -1.034 0 CA-C-O 121.001 0.429 . . . . 0.0 110.087 -178.466 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . 0.466 ' HB2' ' O ' ' A' ' 7' ' ' ASN . 25.8 m-85 -72.61 -29.67 63.68 Favored 'General case' 0 N--CA 1.442 -0.841 0 N-CA-C 112.393 0.516 . . . . 0.0 112.393 174.945 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -62.38 -46.13 90.03 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 109.2 -0.667 . . . . 0.0 109.2 175.756 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -63.86 -45.85 93.16 Favored Glycine 0 C--N 1.321 -0.29 0 N-CA-C 111.104 -0.798 . . . . 0.0 111.104 177.391 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.407 ' HB2' ' HA ' ' A' ' 11' ' ' TYR . 9.9 mptt -56.32 -51.44 68.23 Favored 'General case' 0 C--N 1.325 -0.466 0 C-N-CA 124.036 0.935 . . . . 0.0 111.046 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -70.62 -27.62 64.22 Favored 'General case' 0 C--O 1.208 -1.085 0 CA-C-N 115.612 -0.722 . . . . 0.0 111.614 -177.586 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . 0.519 ' O ' ' HB2' ' A' ' 20' ' ' LEU . 91.2 m -75.16 -39.54 60.29 Favored 'General case' 0 C--N 1.304 -1.397 0 C-N-CA 120.45 -0.5 . . . . 0.0 110.774 177.86 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 8.3 tp -77.75 -54.27 12.83 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.381 0 C-N-CA 118.44 -1.304 . . . . 0.0 111.805 177.836 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 40.7 m-85 -79.02 -62.04 1.82 Allowed 'General case' 0 C--N 1.318 -0.764 0 N-CA-C 113.465 0.913 . . . . 0.0 113.465 -178.139 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -56.52 -47.44 83.94 Favored Glycine 0 CA--C 1.502 -0.73 0 CA-C-N 116.253 -0.43 . . . . 0.0 113.142 -177.449 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.519 ' HB2' ' O ' ' A' ' 16' ' ' THR . 4.1 mp -65.0 -32.18 73.77 Favored 'General case' 0 C--O 1.2 -1.539 0 N-CA-C 113.081 0.771 . . . . 0.0 113.081 176.366 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -65.4 -26.71 68.11 Favored 'General case' 0 C--O 1.208 -1.102 0 CA-C-N 118.086 0.403 . . . . 0.0 110.474 175.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -72.63 -32.65 66.07 Favored 'General case' 0 C--N 1.308 -1.22 0 C-N-CA 120.402 -0.519 . . . . 0.0 110.105 177.766 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 0.3 OUTLIER -91.0 -42.44 10.54 Favored 'General case' 0 C--O 1.205 -1.275 0 N-CA-C 113.392 0.886 . . . . 0.0 113.392 -179.448 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.297 -1.687 0 N-CA-C 112.521 0.563 . . . . 0.0 112.521 178.521 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.427 ' HG ' ' H ' ' A' ' 6' ' ' TYR . 56.2 tp . . . . . 0 N--CA 1.426 -1.664 0 N-CA-C 106.991 -1.485 . . . . 0.0 106.991 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -53.69 -38.54 64.31 Favored 'General case' 0 C--N 1.316 -0.863 0 O-C-N 123.907 0.755 . . . . 0.0 111.059 175.495 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' TYR . . . . . 0.475 ' O ' ' HB3' ' A' ' 10' ' ' HIS . 71.0 m-85 -76.96 -23.19 52.37 Favored 'General case' 0 C--N 1.315 -0.906 0 CA-C-N 115.893 -0.594 . . . . 0.0 112.009 177.498 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' ASN . . . . . 0.527 ' O ' ' HB2' ' A' ' 11' ' ' TYR . 26.6 t-20 -75.62 -57.22 4.01 Favored 'General case' 0 C--O 1.198 -1.657 0 CA-C-O 121.597 0.713 . . . . 0.0 109.612 178.011 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . 0.487 ' HA ' ' CE ' ' A' ' 8' ' ' MET . 3.0 mmt -77.34 -60.51 2.34 Favored 'General case' 0 C--N 1.29 -1.983 0 N-CA-C 112.97 0.73 . . . . 0.0 112.97 -178.775 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -69.22 -46.18 58.59 Favored Glycine 0 N--CA 1.443 -0.859 0 CA-C-N 115.76 -0.655 . . . . 0.0 113.984 -173.525 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' HIS . . . . . 0.475 ' HB3' ' O ' ' A' ' 6' ' ' TYR . 72.1 t60 -72.07 -39.9 68.69 Favored 'General case' 0 C--N 1.314 -0.944 0 C-N-CA 120.217 -0.593 . . . . 0.0 111.757 -176.826 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . 0.527 ' HB2' ' O ' ' A' ' 7' ' ' ASN . 26.9 m-85 -63.95 -32.07 73.47 Favored 'General case' 0 CA--C 1.491 -1.323 0 C-N-CA 120.593 -0.443 . . . . 0.0 111.454 175.704 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -56.23 -37.77 70.17 Favored 'General case' 0 C--O 1.224 -0.242 0 O-C-N 123.5 0.5 . . . . 0.0 110.499 178.732 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -70.13 -47.81 43.07 Favored Glycine 0 N--CA 1.443 -0.873 0 C-N-CA 120.549 -0.834 . . . . 0.0 111.61 177.518 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -68.94 -32.67 72.43 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 112.35 0.5 . . . . 0.0 112.35 -178.003 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -74.91 -28.5 60.65 Favored 'General case' 0 C--N 1.304 -1.386 0 CA-C-N 116.645 -0.252 . . . . 0.0 110.741 178.296 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 45.6 m -75.48 -38.27 59.65 Favored 'General case' 0 C--N 1.306 -1.311 0 C-N-CA 119.938 -0.705 . . . . 0.0 110.804 176.797 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 7.2 tp -77.44 -56.04 8.93 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.086 0 C-N-CA 118.601 -1.24 . . . . 0.0 111.489 177.469 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 32.5 m-85 -78.59 -53.64 6.98 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 113.537 0.94 . . . . 0.0 113.537 -177.504 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -63.54 -51.87 50.85 Favored Glycine 0 CA--C 1.501 -0.783 0 CA-C-N 115.694 -0.684 . . . . 0.0 112.401 -175.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 3.2 tp -60.15 -30.14 69.11 Favored 'General case' 0 C--N 1.316 -0.866 0 CA-C-O 119.735 -0.174 . . . . 0.0 111.227 -179.836 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -59.87 -31.26 69.61 Favored 'General case' 0 C--O 1.214 -0.811 0 CA-C-O 120.727 0.299 . . . . 0.0 110.606 176.774 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -72.44 -31.46 65.48 Favored 'General case' 0 C--O 1.21 -1.0 0 CA-C-O 120.871 0.367 . . . . 0.0 110.728 178.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -90.17 -42.85 10.82 Favored 'General case' 0 C--N 1.299 -1.597 0 C-N-CA 120.23 -0.588 . . . . 0.0 112.331 -178.281 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.307 -1.245 0 CA-C-O 121.574 0.702 . . . . 0.0 112.053 179.416 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 22.2 tp . . . . . 0 N--CA 1.421 -1.891 0 N-CA-C 106.871 -1.529 . . . . 0.0 106.871 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -63.88 -28.6 69.95 Favored 'General case' 0 C--O 1.216 -0.682 0 O-C-N 124.096 0.873 . . . . 0.0 111.177 -178.494 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' TYR . . . . . 0.579 ' O ' ' HB3' ' A' ' 10' ' ' HIS . 98.7 m-85 -78.66 -29.16 45.56 Favored 'General case' 0 C--N 1.299 -1.588 0 CA-C-N 115.656 -0.702 . . . . 0.0 111.035 178.846 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' ASN . . . . . 0.453 ' O ' ' HB2' ' A' ' 11' ' ' TYR . 56.1 t30 -76.57 -60.45 2.34 Favored 'General case' 0 C--N 1.306 -1.287 0 CA-C-O 121.054 0.454 . . . . 0.0 110.006 179.067 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . 0.494 ' HA ' ' CE ' ' A' ' 8' ' ' MET . 6.0 mmt -77.24 -61.11 2.09 Favored 'General case' 0 C--N 1.315 -0.894 0 N-CA-C 114.75 1.389 . . . . 0.0 114.75 -179.932 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -63.36 -46.59 92.41 Favored Glycine 0 CA--C 1.505 -0.539 0 N-CA-C 114.742 0.657 . . . . 0.0 114.742 -174.868 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' HIS . . . . . 0.579 ' HB3' ' O ' ' A' ' 6' ' ' TYR . 43.1 t60 -66.58 -40.58 88.99 Favored 'General case' 0 C--N 1.312 -1.043 0 CA-C-O 120.753 0.311 . . . . 0.0 110.452 -177.823 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . 0.453 ' HB2' ' O ' ' A' ' 7' ' ' ASN . 49.0 m-85 -73.18 -28.6 62.3 Favored 'General case' 0 CA--C 1.506 -0.747 0 N-CA-C 113.485 0.92 . . . . 0.0 113.485 177.583 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -55.94 -43.16 77.18 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.011 0.434 . . . . 0.0 110.578 177.784 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -74.9 -42.03 31.58 Favored Glycine 0 N--CA 1.441 -1.004 0 C-N-CA 120.408 -0.901 . . . . 0.0 111.459 178.211 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 13.2 mptt -66.55 -36.43 82.65 Favored 'General case' 0 C--N 1.319 -0.757 0 N-CA-C 113.571 0.952 . . . . 0.0 113.571 -177.184 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -71.8 -28.1 63.38 Favored 'General case' 0 C--O 1.199 -1.576 0 C-N-CA 120.58 -0.448 . . . . 0.0 110.111 177.665 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 18.8 m -75.64 -40.9 55.45 Favored 'General case' 0 C--N 1.305 -1.355 0 C-N-CA 119.981 -0.688 . . . . 0.0 111.442 177.268 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 12.2 tt -77.53 -55.4 10.57 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.938 0 C-N-CA 118.679 -1.208 . . . . 0.0 111.969 177.64 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 22.1 m-85 -79.0 -56.14 4.61 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 121.334 0.587 . . . . 0.0 112.463 -176.766 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -59.87 -50.58 66.17 Favored Glycine 0 CA--C 1.501 -0.833 0 CA-C-N 115.028 -0.987 . . . . 0.0 113.112 -176.08 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 3.6 tp -63.31 -30.89 71.94 Favored 'General case' 0 N--CA 1.434 -1.266 0 CA-C-N 115.764 -0.218 . . . . 0.0 111.117 179.394 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -65.4 -31.88 73.21 Favored 'General case' 0 C--O 1.2 -1.515 0 N-CA-C 109.837 -0.431 . . . . 0.0 109.837 175.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -67.76 -31.53 71.5 Favored 'General case' 0 C--O 1.207 -1.17 0 CA-C-O 121.321 0.582 . . . . 0.0 110.049 176.851 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -86.07 -43.88 12.74 Favored 'General case' 0 C--N 1.293 -1.886 0 C-N-CA 120.285 -0.566 . . . . 0.0 111.728 179.912 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.302 -1.461 0 CA-C-O 121.327 0.584 . . . . 0.0 111.942 -179.898 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.409 ' HG ' ' H ' ' A' ' 6' ' ' TYR . 46.8 tp . . . . . 0 N--CA 1.442 -0.847 0 N-CA-C 107.08 -1.452 . . . . 0.0 107.08 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -56.58 -29.31 61.92 Favored 'General case' 0 C--N 1.316 -0.849 0 C-N-CA 123.633 0.773 . . . . 0.0 111.881 178.69 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' TYR . . . . . 0.603 ' O ' ' HB3' ' A' ' 10' ' ' HIS . 97.3 m-85 -84.81 -18.64 34.3 Favored 'General case' 0 C--N 1.304 -1.401 0 CA-C-N 115.763 -0.653 . . . . 0.0 111.542 -178.802 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' ASN . . . . . 0.486 ' O ' ' HB2' ' A' ' 11' ' ' TYR . 81.3 m-20 -77.17 -59.5 2.75 Favored 'General case' 0 C--N 1.296 -1.75 0 CA-C-O 121.578 0.704 . . . . 0.0 109.322 174.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . 0.462 ' HA ' ' CE ' ' A' ' 8' ' ' MET . 3.1 mmt -77.17 -61.48 1.97 Allowed 'General case' 0 C--N 1.304 -1.376 0 N-CA-C 113.861 1.06 . . . . 0.0 113.861 -178.127 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -67.6 -44.89 80.81 Favored Glycine 0 CA--C 1.505 -0.551 0 N-CA-C 114.555 0.582 . . . . 0.0 114.555 -175.126 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' HIS . . . . . 0.603 ' HB3' ' O ' ' A' ' 6' ' ' TYR . 30.9 t60 -65.62 -39.72 91.8 Favored 'General case' 0 C--N 1.311 -1.094 0 C-N-CA 120.638 -0.425 . . . . 0.0 110.353 -179.608 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . 0.486 ' HB2' ' O ' ' A' ' 7' ' ' ASN . 20.2 m-85 -68.29 -29.7 68.53 Favored 'General case' 0 CA--C 1.499 -0.996 0 N-CA-C 112.562 0.578 . . . . 0.0 112.562 176.112 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -57.77 -34.01 69.11 Favored 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 109.565 -0.531 . . . . 0.0 109.565 175.524 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . 0.418 ' O ' HG22 ' A' ' 17' ' ' ILE . . . -66.61 -51.52 41.21 Favored Glycine 0 N--CA 1.436 -1.32 0 C-N-CA 120.821 -0.704 . . . . 0.0 111.728 176.669 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.83 -35.72 75.01 Favored 'General case' 0 CA--C 1.497 -1.063 0 N-CA-C 112.461 0.541 . . . . 0.0 112.461 -176.004 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -71.43 -31.99 67.84 Favored 'General case' 0 C--N 1.305 -1.363 0 C-N-CA 120.631 -0.428 . . . . 0.0 111.214 -179.23 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . 0.409 ' O ' ' HB2' ' A' ' 20' ' ' LEU . 24.6 m -75.56 -40.61 56.47 Favored 'General case' 0 C--N 1.305 -1.332 0 C-N-CA 120.055 -0.658 . . . . 0.0 110.81 178.344 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.418 HG22 ' O ' ' A' ' 13' ' ' GLY . 7.9 tp -77.41 -55.66 9.95 Favored 'Isoleucine or valine' 0 C--O 1.204 -1.301 0 C-N-CA 118.684 -1.206 . . . . 0.0 111.997 178.473 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 24.7 m-85 -78.88 -59.74 2.66 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 112.456 0.539 . . . . 0.0 112.456 -177.375 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -56.1 -52.2 50.78 Favored Glycine 0 N--CA 1.465 0.575 0 CA-C-N 115.559 -0.746 . . . . 0.0 112.451 -176.685 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.409 ' HB2' ' O ' ' A' ' 16' ' ' THR . 1.8 mp -63.24 -30.68 71.78 Favored 'General case' 0 C--N 1.309 -1.182 0 N-CA-C 113.279 0.844 . . . . 0.0 113.279 177.286 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.87 -27.51 69.39 Favored 'General case' 0 C--O 1.216 -0.703 0 CA-C-O 120.951 0.405 . . . . 0.0 110.637 177.324 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -71.44 -32.22 68.1 Favored 'General case' 0 C--N 1.308 -1.229 0 CA-C-O 121.101 0.477 . . . . 0.0 110.323 179.445 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 0.3 OUTLIER -90.7 -42.3 10.8 Favored 'General case' 0 N--CA 1.429 -1.52 0 C-N-CA 120.322 -0.551 . . . . 0.0 112.174 -179.781 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.303 -1.431 0 N-CA-C 112.356 0.502 . . . . 0.0 112.356 178.621 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 43.0 tp . . . . . 0 N--CA 1.439 -0.998 0 N-CA-C 107.008 -1.479 . . . . 0.0 107.008 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -58.6 -41.43 85.8 Favored 'General case' 0 C--N 1.314 -0.969 0 CA-C-O 121.487 0.661 . . . . 0.0 110.833 177.275 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' TYR . . . . . 0.492 ' O ' ' HB3' ' A' ' 10' ' ' HIS . 58.8 m-85 -75.74 -17.6 59.85 Favored 'General case' 0 C--N 1.301 -1.509 0 CA-C-N 115.906 -0.588 . . . . 0.0 112.308 178.482 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' ASN . . . . . 0.438 ' O ' ' HB2' ' A' ' 11' ' ' TYR . 14.8 t-20 -76.95 -62.31 1.69 Allowed 'General case' 0 C--N 1.304 -1.375 0 CA-C-O 121.188 0.518 . . . . 0.0 109.741 174.891 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 25.8 tpp -78.83 -61.51 1.99 Allowed 'General case' 0 C--N 1.31 -1.144 0 N-CA-C 114.306 1.224 . . . . 0.0 114.306 -178.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -65.15 -42.23 96.58 Favored Glycine 0 C--O 1.241 0.568 0 C-N-CA 121.417 -0.42 . . . . 0.0 113.691 -172.483 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' HIS . . . . . 0.492 ' HB3' ' O ' ' A' ' 6' ' ' TYR . 78.4 t60 -67.99 -45.19 74.8 Favored 'General case' 0 C--N 1.311 -1.073 0 N-CA-C 110.387 -0.227 . . . . 0.0 110.387 179.723 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . 0.438 ' HB2' ' O ' ' A' ' 7' ' ' ASN . 27.3 m-85 -66.93 -38.17 85.69 Favored 'General case' 0 C--O 1.197 -1.67 0 C-N-CA 120.308 -0.557 . . . . 0.0 111.825 177.496 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -56.3 -43.19 78.67 Favored 'General case' 0 CA--C 1.508 -0.669 0 O-C-N 123.219 0.324 . . . . 0.0 110.303 178.801 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . 0.472 ' O ' HG22 ' A' ' 17' ' ' ILE . . . -62.31 -48.62 81.18 Favored Glycine 0 N--CA 1.432 -1.568 0 CA-C-N 115.662 -0.699 . . . . 0.0 111.833 177.535 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.659 ' HE2' ' N ' ' A' ' 14' ' ' LYS . 0.6 OUTLIER -73.95 -37.3 64.58 Favored 'General case' 0 C--N 1.325 -0.475 0 C-N-CA 120.678 -0.409 . . . . 0.0 111.769 -175.583 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -69.28 -34.36 74.62 Favored 'General case' 0 C--O 1.207 -1.16 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.27 -178.431 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 24.5 m -75.31 -37.51 60.78 Favored 'General case' 0 C--N 1.303 -1.452 0 C-N-CA 119.929 -0.708 . . . . 0.0 111.058 179.75 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.472 HG22 ' O ' ' A' ' 13' ' ' GLY . 11.0 tt -77.91 -55.15 11.01 Favored 'Isoleucine or valine' 0 N--CA 1.437 -1.107 0 C-N-CA 118.361 -1.336 . . . . 0.0 112.254 176.871 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 54.1 m-85 -79.33 -62.4 1.7 Allowed 'General case' 0 C--N 1.315 -0.932 0 N-CA-C 113.505 0.928 . . . . 0.0 113.505 -177.6 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -55.67 -47.87 75.0 Favored Glycine 0 CA--C 1.505 -0.569 0 CA-C-N 115.562 -0.744 . . . . 0.0 113.338 -177.369 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 1.9 tp -67.35 -30.61 70.46 Favored 'General case' 0 C--N 1.307 -1.278 0 C-N-CA 121.018 -0.273 . . . . 0.0 111.013 179.629 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -66.94 -26.37 66.81 Favored 'General case' 0 CA--C 1.507 -0.682 0 CA-C-O 121.061 0.457 . . . . 0.0 109.997 178.174 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -67.57 -31.97 72.41 Favored 'General case' 0 N--CA 1.437 -1.091 0 CA-C-N 116.073 -0.512 . . . . 0.0 109.841 177.086 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' TRP . . . . . 0.483 ' CE3' ' HA ' ' A' ' 23' ' ' TRP . 0.1 OUTLIER -90.83 -39.91 12.08 Favored 'General case' 0 N--CA 1.435 -1.211 0 C-N-CA 120.5 -0.48 . . . . 0.0 112.074 179.737 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.326 0 CA-C-O 121.193 0.52 . . . . 0.0 112.396 178.652 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 17.6 tp . . . . . 0 N--CA 1.432 -1.327 0 N-CA-C 109.349 -0.612 . . . . 0.0 109.349 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -62.16 -36.54 82.15 Favored 'General case' 0 C--O 1.218 -0.591 0 CA-C-O 121.464 0.649 . . . . 0.0 111.121 179.782 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' TYR . . . . . 0.617 ' O ' ' HB3' ' A' ' 10' ' ' HIS . 93.3 m-85 -78.2 -30.82 49.14 Favored 'General case' 0 C--N 1.303 -1.43 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.561 178.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' ASN . . . . . 0.429 ' O ' ' HB2' ' A' ' 11' ' ' TYR . 0.2 OUTLIER -76.18 -52.24 10.48 Favored 'General case' 0 C--N 1.294 -1.843 0 C-N-CA 119.586 -0.845 . . . . 0.0 109.586 -179.106 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . 0.4 ' CE ' ' HA ' ' A' ' 8' ' ' MET . 0.1 OUTLIER -78.22 -61.93 1.84 Allowed 'General case' 0 C--N 1.302 -1.461 0 C-N-CA 119.766 -0.774 . . . . 0.0 112.933 179.366 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -71.14 -44.33 54.12 Favored Glycine 0 N--CA 1.461 0.358 0 N-CA-C 115.045 0.778 . . . . 0.0 115.045 -173.196 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' HIS . . . . . 0.617 ' HB3' ' O ' ' A' ' 6' ' ' TYR . 81.2 t60 -66.13 -39.74 90.12 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.247 0.546 . . . . 0.0 109.623 -178.154 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . 0.429 ' HB2' ' O ' ' A' ' 7' ' ' ASN . 24.3 m-85 -68.72 -37.13 79.25 Favored 'General case' 0 C--O 1.208 -1.101 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.652 175.189 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -56.13 -40.71 74.19 Favored 'General case' 0 CA--C 1.513 -0.45 0 O-C-N 123.549 0.531 . . . . 0.0 111.129 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -62.46 -43.45 99.01 Favored Glycine 0 N--CA 1.445 -0.762 0 C-N-CA 120.744 -0.741 . . . . 0.0 111.645 177.769 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 1.3 mptm? -74.65 -40.01 61.71 Favored 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 111.673 0.249 . . . . 0.0 111.673 -178.467 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -69.06 -30.17 68.45 Favored 'General case' 0 C--N 1.304 -1.401 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.674 -178.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 27.3 m -75.15 -38.03 61.13 Favored 'General case' 0 C--N 1.305 -1.36 0 C-N-CA 119.839 -0.744 . . . . 0.0 110.758 177.769 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 8.3 tp -78.32 -54.96 11.22 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.849 0 C-N-CA 118.2 -1.4 . . . . 0.0 111.945 177.031 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 35.0 m-85 -78.77 -54.41 6.12 Favored 'General case' 0 C--N 1.32 -0.687 0 N-CA-C 113.483 0.92 . . . . 0.0 113.483 -177.289 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -62.88 -51.41 55.84 Favored Glycine 0 CA--C 1.496 -1.136 0 CA-C-N 115.685 -0.689 . . . . 0.0 112.594 -176.087 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 3.8 tp -62.09 -30.53 71.06 Favored 'General case' 0 C--N 1.309 -1.156 0 O-C-N 123.681 0.283 . . . . 0.0 111.346 -179.48 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -61.75 -26.12 67.87 Favored 'General case' 0 C--O 1.214 -0.805 0 CA-C-O 120.756 0.312 . . . . 0.0 110.666 177.743 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -69.32 -31.54 70.07 Favored 'General case' 0 N--CA 1.443 -0.781 0 CA-C-O 121.132 0.491 . . . . 0.0 110.272 178.13 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -90.24 -39.17 12.95 Favored 'General case' 0 C--N 1.3 -1.567 0 C-N-CA 120.418 -0.513 . . . . 0.0 111.696 179.837 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.309 0 CA-C-O 121.697 0.761 . . . . 0.0 112.632 178.703 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 54.3 tp . . . . . 0 N--CA 1.437 -1.121 0 N-CA-C 108.048 -1.093 . . . . 0.0 108.048 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -56.09 -47.1 78.66 Favored 'General case' 0 C--N 1.311 -1.091 0 O-C-N 124.011 0.819 . . . . 0.0 111.162 177.929 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' TYR . . . . . 0.615 ' O ' ' HB3' ' A' ' 10' ' ' HIS . 90.5 m-85 -68.67 -30.21 68.85 Favored 'General case' 0 C--N 1.298 -1.652 0 CA-C-N 115.567 -0.742 . . . . 0.0 112.802 -179.75 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 62.0 t30 -77.54 -58.06 3.48 Favored 'General case' 0 C--N 1.301 -1.543 0 C-N-CA 119.362 -0.935 . . . . 0.0 109.829 177.879 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . 0.454 ' HA ' ' CE ' ' A' ' 8' ' ' MET . 4.6 mmt -75.89 -60.67 2.22 Favored 'General case' 0 C--N 1.308 -1.228 0 N-CA-C 113.247 0.832 . . . . 0.0 113.247 -174.958 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -70.0 -42.88 67.22 Favored Glycine 0 N--CA 1.445 -0.734 0 C-N-CA 120.835 -0.698 . . . . 0.0 113.462 -174.419 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' HIS . . . . . 0.615 ' HB3' ' O ' ' A' ' 6' ' ' TYR . 48.5 t60 -67.33 -43.74 80.81 Favored 'General case' 0 CA--C 1.544 0.747 0 C-N-CA 120.645 -0.422 . . . . 0.0 111.807 -177.476 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 63.7 m-85 -73.3 -30.54 63.46 Favored 'General case' 0 N--CA 1.471 0.602 0 C-N-CA 120.445 -0.502 . . . . 0.0 112.1 177.168 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -56.13 -44.04 78.79 Favored 'General case' 0 CA--C 1.501 -0.917 0 O-C-N 123.233 0.333 . . . . 0.0 111.504 -177.635 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . 0.518 ' O ' HG22 ' A' ' 17' ' ' ILE . . . -64.21 -47.12 88.21 Favored Glycine 0 N--CA 1.435 -1.376 0 C-N-CA 120.148 -1.025 . . . . 0.0 111.74 178.631 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 13.4 mptt -74.84 -40.75 60.86 Favored 'General case' 0 C--N 1.321 -0.646 0 N-CA-C 113.02 0.748 . . . . 0.0 113.02 -172.825 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -70.08 -34.42 73.15 Favored 'General case' 0 C--N 1.306 -1.308 0 C-N-CA 120.875 -0.33 . . . . 0.0 111.081 -178.078 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 20.0 m -75.55 -39.6 57.98 Favored 'General case' 0 C--N 1.3 -1.549 0 C-N-CA 121.038 -0.265 . . . . 0.0 111.201 -179.36 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.518 HG22 ' O ' ' A' ' 13' ' ' GLY . 9.3 tp -77.79 -54.95 11.56 Favored 'Isoleucine or valine' 0 C--O 1.206 -1.211 0 C-N-CA 118.496 -1.282 . . . . 0.0 111.592 177.812 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 26.3 m-85 -78.68 -61.3 2.05 Favored 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 113.385 0.883 . . . . 0.0 113.385 -176.152 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -58.69 -52.69 51.6 Favored Glycine 0 CA--C 1.502 -0.759 0 CA-C-N 115.702 -0.681 . . . . 0.0 112.289 -176.168 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 5.8 mp -61.02 -30.35 70.25 Favored 'General case' 0 CA--C 1.5 -0.961 0 N-CA-C 113.636 0.976 . . . . 0.0 113.636 177.52 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -59.22 -26.1 64.58 Favored 'General case' 0 C--O 1.21 -1.025 0 C-N-CA 121.218 -0.193 . . . . 0.0 111.205 176.33 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -74.05 -34.06 63.93 Favored 'General case' 0 C--N 1.313 -0.982 0 C-N-CA 120.257 -0.577 . . . . 0.0 110.959 179.142 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' TRP . . . . . 0.412 ' CE3' ' HA ' ' A' ' 23' ' ' TRP . 0.1 OUTLIER -91.13 -40.61 11.49 Favored 'General case' 0 C--O 1.204 -1.335 0 C-N-CA 119.542 -0.863 . . . . 0.0 112.176 -179.969 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.411 0 CA-C-O 121.328 0.585 . . . . 0.0 112.474 177.541 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 20.4 tp . . . . . 0 N--CA 1.434 -1.239 0 N-CA-C 105.736 -1.949 . . . . 0.0 105.736 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -68.84 -39.2 80.08 Favored 'General case' 0 C--N 1.311 -1.089 0 CA-C-N 118.172 0.442 . . . . 0.0 111.187 -177.894 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' TYR . . . . . 0.503 ' O ' ' HB3' ' A' ' 10' ' ' HIS . 86.6 m-85 -75.67 -19.14 59.36 Favored 'General case' 0 C--N 1.308 -1.237 0 CA-C-O 121.298 0.57 . . . . 0.0 111.379 176.186 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' ASN . . . . . 0.44 ' O ' ' HB2' ' A' ' 11' ' ' TYR . 22.5 t-20 -76.27 -61.17 2.03 Favored 'General case' 0 C--N 1.295 -1.765 0 CA-C-O 121.508 0.67 . . . . 0.0 109.974 174.87 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -76.99 -61.16 2.07 Favored 'General case' 0 C--N 1.301 -1.518 0 CA-C-N 115.583 -0.735 . . . . 0.0 112.494 -175.292 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -67.63 -43.18 86.35 Favored Glycine 0 CA--C 1.503 -0.696 0 CA-C-N 115.956 -0.566 . . . . 0.0 113.945 -173.244 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' HIS . . . . . 0.503 ' HB3' ' O ' ' A' ' 6' ' ' TYR . 37.6 t60 -67.49 -44.52 78.3 Favored 'General case' 0 C--N 1.32 -0.675 0 N-CA-C 109.739 -0.467 . . . . 0.0 109.739 -178.01 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . 0.44 ' HB2' ' O ' ' A' ' 7' ' ' ASN . 48.7 m-85 -69.67 -29.41 66.84 Favored 'General case' 0 CA--C 1.502 -0.879 0 N-CA-C 112.828 0.677 . . . . 0.0 112.828 178.303 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -59.24 -38.42 79.97 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.181 0.515 . . . . 0.0 109.982 176.324 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -72.66 -48.11 23.98 Favored Glycine 0 N--CA 1.435 -1.417 0 CA-C-N 115.621 -0.718 . . . . 0.0 111.566 177.064 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.443 ' HD2' ' CD2' ' A' ' 10' ' ' HIS . 6.6 mtpm? -65.48 -37.39 86.7 Favored 'General case' 0 C--N 1.317 -0.845 0 N-CA-C 113.905 1.076 . . . . 0.0 113.905 -175.545 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -72.71 -28.88 62.94 Favored 'General case' 0 C--N 1.305 -1.368 0 C-N-CA 120.857 -0.337 . . . . 0.0 110.458 178.427 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . 0.459 ' O ' ' HB2' ' A' ' 20' ' ' LEU . 34.0 m -75.69 -41.07 54.75 Favored 'General case' 0 N--CA 1.433 -1.307 0 CA-C-O 120.856 0.36 . . . . 0.0 110.794 178.138 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 7.3 tp -77.24 -55.6 10.21 Favored 'Isoleucine or valine' 0 C--O 1.209 -1.054 0 C-N-CA 119.274 -0.971 . . . . 0.0 111.634 178.663 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 40.3 m-85 -78.79 -61.16 2.1 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 113.495 0.924 . . . . 0.0 113.495 -177.461 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -56.68 -52.38 50.88 Favored Glycine 0 CA--C 1.503 -0.656 0 CA-C-N 115.393 -0.821 . . . . 0.0 112.4 -176.439 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.459 ' HB2' ' O ' ' A' ' 16' ' ' THR . 4.5 mp -62.08 -31.71 72.17 Favored 'General case' 0 C--O 1.204 -1.31 0 N-CA-C 113.646 0.98 . . . . 0.0 113.646 177.026 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.87 -31.5 72.56 Favored 'General case' 0 C--O 1.211 -0.96 0 CA-C-N 118.337 0.517 . . . . 0.0 110.336 177.054 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -72.64 -31.59 65.24 Favored 'General case' 0 C--N 1.303 -1.43 0 CA-C-O 120.979 0.419 . . . . 0.0 110.948 177.797 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 0.3 OUTLIER -89.78 -40.22 12.62 Favored 'General case' 0 C--O 1.191 -2.003 0 C-N-CA 118.833 -1.147 . . . . 0.0 111.632 -179.263 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.301 -1.542 0 N-CA-C 113.075 0.768 . . . . 0.0 113.075 178.488 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 29.5 tp . . . . . 0 N--CA 1.441 -0.895 0 N-CA-C 108.2 -1.037 . . . . 0.0 108.2 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -59.45 -38.76 81.57 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 121.598 0.713 . . . . 0.0 110.475 178.667 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' TYR . . . . . 0.494 ' HA ' ' HB2' ' A' ' 10' ' ' HIS . 61.7 m-85 -82.51 -26.31 32.64 Favored 'General case' 0 C--N 1.302 -1.493 0 CA-C-N 115.422 -0.808 . . . . 0.0 112.543 -179.873 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' ASN . . . . . 0.446 ' O ' ' HB2' ' A' ' 11' ' ' TYR . 10.1 m120 -75.32 -56.17 4.98 Favored 'General case' 0 C--N 1.308 -1.227 0 C-N-CA 120.358 -0.537 . . . . 0.0 110.22 178.385 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -76.92 -61.34 2.01 Favored 'General case' 0 C--N 1.299 -1.59 0 CA-C-N 116.003 -0.544 . . . . 0.0 112.023 -178.685 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -71.06 -44.1 55.4 Favored Glycine 0 CA--C 1.5 -0.893 0 CA-C-N 115.686 -0.688 . . . . 0.0 114.44 -171.194 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' HIS . . . . . 0.494 ' HB2' ' HA ' ' A' ' 6' ' ' TYR . 41.3 t60 -70.06 -39.16 75.83 Favored 'General case' 0 C--N 1.31 -1.136 0 C-N-CA 120.171 -0.611 . . . . 0.0 110.223 -176.118 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . 0.446 ' HB2' ' O ' ' A' ' 7' ' ' ASN . 42.9 m-85 -68.44 -28.65 67.25 Favored 'General case' 0 CA--C 1.5 -0.952 0 N-CA-C 112.529 0.566 . . . . 0.0 112.529 175.665 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -58.46 -37.93 76.48 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 109.805 -0.442 . . . . 0.0 109.805 176.563 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -75.18 -46.34 16.37 Favored Glycine 0 N--CA 1.442 -0.936 0 N-CA-C 111.257 -0.737 . . . . 0.0 111.257 177.037 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 1.2 mptm? -61.57 -41.35 97.26 Favored 'General case' 0 CA--C 1.511 -0.537 0 N-CA-C 113.401 0.889 . . . . 0.0 113.401 -178.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -71.61 -27.46 63.13 Favored 'General case' 0 C--N 1.303 -1.415 0 CA-C-O 120.662 0.268 . . . . 0.0 110.559 179.45 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 60.3 m -75.88 -38.96 57.34 Favored 'General case' 0 C--N 1.299 -1.59 0 C-N-CA 120.051 -0.66 . . . . 0.0 111.272 176.678 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -77.82 -54.78 11.85 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.978 0 C-N-CA 118.732 -1.187 . . . . 0.0 110.322 177.403 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 41.5 m-85 -78.55 -57.78 3.59 Favored 'General case' 0 C--N 1.314 -0.94 0 N-CA-C 113.308 0.855 . . . . 0.0 113.308 -177.248 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -59.51 -51.57 58.31 Favored Glycine 0 CA--C 1.503 -0.716 0 CA-C-N 115.791 -0.641 . . . . 0.0 112.454 -176.289 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 2.1 tp -61.51 -30.55 70.7 Favored 'General case' 0 C--N 1.313 -1.013 0 CA-C-O 119.705 -0.188 . . . . 0.0 111.235 179.828 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.15 -30.76 71.26 Favored 'General case' 0 C--O 1.219 -0.532 0 CA-C-N 117.928 0.331 . . . . 0.0 110.836 177.845 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -68.74 -31.72 70.99 Favored 'General case' 0 C--N 1.313 -1.0 0 CA-C-O 121.351 0.596 . . . . 0.0 110.129 178.719 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 0.5 OUTLIER -89.57 -40.07 12.86 Favored 'General case' 0 C--O 1.198 -1.647 0 C-N-CA 119.941 -0.703 . . . . 0.0 111.77 179.733 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.307 -1.276 0 CA-C-O 121.383 0.611 . . . . 0.0 112.48 179.876 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.44 ' HG ' ' H ' ' A' ' 6' ' ' TYR . 51.5 tp . . . . . 0 N--CA 1.426 -1.67 0 N-CA-C 109.335 -0.617 . . . . 0.0 109.335 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -61.28 -33.94 74.38 Favored 'General case' 0 C--O 1.208 -1.11 0 C-N-CA 123.27 0.628 . . . . 0.0 111.692 -179.228 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' TYR . . . . . 0.558 ' O ' ' HB3' ' A' ' 10' ' ' HIS . 89.5 m-85 -73.01 -30.93 64.13 Favored 'General case' 0 C--N 1.296 -1.72 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.349 177.919 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 10.3 m120 -76.55 -61.48 1.95 Allowed 'General case' 0 C--N 1.304 -1.387 0 CA-C-O 121.349 0.595 . . . . 0.0 110.395 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 26.5 tpp -77.89 -61.67 1.92 Allowed 'General case' 0 C--O 1.201 -1.461 0 N-CA-C 113.221 0.823 . . . . 0.0 113.221 -179.649 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -61.71 -50.11 69.47 Favored Glycine 0 N--CA 1.468 0.797 0 N-CA-C 114.117 0.407 . . . . 0.0 114.117 -173.008 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' HIS . . . . . 0.558 ' HB3' ' O ' ' A' ' 6' ' ' TYR . 21.6 t60 -62.25 -43.58 98.5 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 120.573 0.225 . . . . 0.0 110.838 -177.743 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 39.4 m-85 -73.27 -35.06 66.13 Favored 'General case' 0 C--O 1.208 -1.129 0 N-CA-C 113.096 0.776 . . . . 0.0 113.096 177.937 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -56.59 -37.38 70.54 Favored 'General case' 0 C--O 1.218 -0.555 0 CA-C-O 120.546 0.212 . . . . 0.0 110.784 179.843 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -66.18 -46.57 78.77 Favored Glycine 0 N--CA 1.44 -1.037 0 C-N-CA 120.827 -0.702 . . . . 0.0 111.718 177.303 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 13.4 mptt -74.71 -38.51 62.31 Favored 'General case' 0 C--N 1.317 -0.822 0 N-CA-C 112.523 0.564 . . . . 0.0 112.523 -176.736 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -67.61 -31.23 71.11 Favored 'General case' 0 C--N 1.31 -1.122 0 CA-C-N 116.498 -0.319 . . . . 0.0 110.989 179.288 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . 0.491 ' HA ' HD13 ' A' ' 20' ' ' LEU . 91.6 m -74.7 -39.08 62.16 Favored 'General case' 0 N--CA 1.429 -1.499 0 C-N-CA 120.932 -0.307 . . . . 0.0 111.154 178.216 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 8.6 tp -77.2 -54.16 13.38 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.245 0 C-N-CA 118.319 -1.352 . . . . 0.0 111.358 178.48 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 33.2 m-85 -78.42 -62.41 1.69 Allowed 'General case' 0 C--N 1.314 -0.954 0 N-CA-C 113.507 0.928 . . . . 0.0 113.507 -177.683 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -58.55 -51.3 59.61 Favored Glycine 0 CA--C 1.499 -0.947 0 CA-C-N 115.543 -0.753 . . . . 0.0 112.678 -175.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.491 HD13 ' HA ' ' A' ' 16' ' ' THR . 6.8 mp -62.33 -30.55 71.24 Favored 'General case' 0 C--O 1.197 -1.665 0 N-CA-C 113.406 0.891 . . . . 0.0 113.406 176.409 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -64.36 -35.58 81.33 Favored 'General case' 0 C--N 1.302 -1.478 0 C-N-CA 119.647 -0.821 . . . . 0.0 110.051 174.803 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -74.78 -32.55 62.05 Favored 'General case' 0 C--N 1.306 -1.294 0 CA-C-O 121.437 0.637 . . . . 0.0 110.535 -179.681 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 0.5 OUTLIER -89.6 -49.82 6.44 Favored 'General case' 0 C--N 1.295 -1.793 0 N-CA-C 113.55 0.944 . . . . 0.0 113.55 -177.77 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.293 -1.87 0 CA-C-O 121.385 0.612 . . . . 0.0 111.532 -178.552 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 17.7 tp . . . . . 0 N--CA 1.433 -1.299 0 N-CA-C 107.78 -1.193 . . . . 0.0 107.78 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -58.45 -39.13 79.02 Favored 'General case' 0 C--N 1.309 -1.155 0 C-N-CA 123.215 0.606 . . . . 0.0 110.069 176.628 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' TYR . . . . . 0.562 ' O ' ' HB3' ' A' ' 10' ' ' HIS . 70.0 m-85 -78.4 -14.0 59.59 Favored 'General case' 0 C--N 1.305 -1.33 0 CA-C-N 115.443 -0.798 . . . . 0.0 112.14 178.308 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 23.1 t-20 -76.57 -61.35 1.99 Allowed 'General case' 0 C--N 1.31 -1.142 0 N-CA-C 108.623 -0.88 . . . . 0.0 108.623 175.511 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 32.5 tpp -77.56 -58.79 3.08 Favored 'General case' 0 C--O 1.208 -1.125 0 N-CA-C 113.299 0.851 . . . . 0.0 113.299 -179.557 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -61.69 -47.67 88.97 Favored Glycine 0 C--O 1.239 0.438 0 O-C-N 123.192 0.308 . . . . 0.0 113.761 -172.695 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' HIS . . . . . 0.562 ' HB3' ' O ' ' A' ' 6' ' ' TYR . 39.9 t60 -63.97 -40.95 97.56 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-O 121.025 0.44 . . . . 0.0 110.767 -178.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 22.4 m-85 -73.47 -32.22 64.2 Favored 'General case' 0 C--O 1.2 -1.531 0 N-CA-C 112.823 0.675 . . . . 0.0 112.823 176.722 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -55.77 -44.9 78.15 Favored 'General case' 0 C--O 1.216 -0.67 0 C-N-CA 122.625 0.37 . . . . 0.0 111.396 -176.914 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -68.56 -37.41 85.14 Favored Glycine 0 C--N 1.313 -0.729 0 C-N-CA 120.332 -0.937 . . . . 0.0 112.202 179.396 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.454 ' HD3' ' O ' ' A' ' 10' ' ' HIS . 13.5 mptt -76.21 -30.28 57.93 Favored 'General case' 0 C--N 1.314 -0.974 0 CA-C-O 121.161 0.505 . . . . 0.0 111.725 -179.096 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -70.28 -30.63 67.7 Favored 'General case' 0 C--N 1.304 -1.41 0 CA-C-N 115.929 -0.578 . . . . 0.0 111.094 179.482 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 8.0 m -72.31 -36.31 68.87 Favored 'General case' 0 C--N 1.303 -1.413 0 C-N-CA 120.268 -0.573 . . . . 0.0 110.318 177.883 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 8.2 tp -77.84 -54.48 12.39 Favored 'Isoleucine or valine' 0 C--O 1.21 -0.98 0 C-N-CA 118.861 -1.136 . . . . 0.0 111.292 176.8 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 41.1 m-85 -78.24 -62.25 1.74 Allowed 'General case' 0 C--N 1.32 -0.7 0 N-CA-C 113.965 1.098 . . . . 0.0 113.965 -178.131 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -58.03 -50.01 69.95 Favored Glycine 0 CA--C 1.501 -0.804 0 CA-C-N 115.816 -0.629 . . . . 0.0 112.9 -175.598 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 3.7 tp -64.24 -29.95 71.02 Favored 'General case' 0 N--CA 1.434 -1.255 0 CA-C-N 115.313 -0.444 . . . . 0.0 111.445 -178.836 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -58.34 -26.12 62.74 Favored 'General case' 0 C--O 1.214 -0.8 0 N-CA-C 111.744 0.275 . . . . 0.0 111.744 179.523 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -71.68 -33.32 68.73 Favored 'General case' 0 C--O 1.212 -0.879 0 CA-C-O 121.123 0.487 . . . . 0.0 110.217 -179.554 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 0.6 OUTLIER -90.86 -36.54 14.13 Favored 'General case' 0 C--N 1.305 -1.368 0 C-N-CA 120.174 -0.61 . . . . 0.0 112.171 178.571 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.309 -1.154 0 N-CA-C 112.407 0.521 . . . . 0.0 112.407 179.505 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 19.6 tp . . . . . 0 N--CA 1.438 -1.064 0 N-CA-C 106.084 -1.821 . . . . 0.0 106.084 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -58.12 -41.93 84.68 Favored 'General case' 0 C--N 1.316 -0.868 0 CA-C-O 121.674 0.749 . . . . 0.0 112.032 -176.832 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' TYR . . . . . 0.533 ' O ' ' HB3' ' A' ' 10' ' ' HIS . 97.0 m-85 -77.18 -28.9 54.14 Favored 'General case' 0 C--N 1.296 -1.737 0 CA-C-N 115.44 -0.8 . . . . 0.0 111.631 -179.723 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 3.0 m-20 -76.11 -49.62 16.9 Favored 'General case' 0 C--N 1.293 -1.876 0 C-N-CA 119.995 -0.682 . . . . 0.0 110.812 -179.617 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -77.38 -62.24 1.72 Allowed 'General case' 0 C--N 1.304 -1.413 0 CA-C-N 116.035 -0.53 . . . . 0.0 112.305 179.662 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -73.2 -41.41 46.91 Favored Glycine 0 N--CA 1.445 -0.702 0 N-CA-C 114.984 0.754 . . . . 0.0 114.984 -172.728 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' HIS . . . . . 0.533 ' HB3' ' O ' ' A' ' 6' ' ' TYR . 56.3 t60 -70.87 -39.12 73.07 Favored 'General case' 0 C--N 1.317 -0.84 0 C-N-CA 119.779 -0.769 . . . . 0.0 110.599 -176.929 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 54.1 m-85 -70.42 -31.54 68.79 Favored 'General case' 0 CA--C 1.501 -0.919 0 C-N-CA 120.734 -0.386 . . . . 0.0 112.001 175.248 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -59.26 -33.32 70.9 Favored 'General case' 0 C--O 1.217 -0.612 0 CA-C-O 121.042 0.448 . . . . 0.0 110.517 178.209 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -73.62 -49.39 14.58 Favored Glycine 0 N--CA 1.435 -1.393 0 C-N-CA 120.322 -0.942 . . . . 0.0 111.203 176.271 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 1.2 mptm? -68.28 -39.61 82.09 Favored 'General case' 0 CA--C 1.506 -0.726 0 N-CA-C 113.724 1.009 . . . . 0.0 113.724 -175.816 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -70.32 -30.08 66.96 Favored 'General case' 0 C--N 1.308 -1.198 0 C-N-CA 120.837 -0.345 . . . . 0.0 110.808 -179.387 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 21.1 m -76.09 -36.2 59.02 Favored 'General case' 0 C--N 1.307 -1.245 0 C-N-CA 119.825 -0.75 . . . . 0.0 110.927 178.336 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 7.8 tp -78.16 -55.47 10.05 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.859 0 C-N-CA 118.518 -1.273 . . . . 0.0 112.375 176.698 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 27.5 m-85 -78.78 -62.53 1.66 Allowed 'General case' 0 C--N 1.321 -0.649 0 N-CA-C 112.917 0.71 . . . . 0.0 112.917 -177.628 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -54.77 -50.18 59.0 Favored Glycine 0 CA--C 1.5 -0.898 0 CA-C-N 115.77 -0.65 . . . . 0.0 113.554 -178.019 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 4.1 tp -64.71 -30.83 71.85 Favored 'General case' 0 C--N 1.31 -1.126 0 C-N-CA 120.893 -0.323 . . . . 0.0 111.662 -179.693 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.46 -25.9 68.23 Favored 'General case' 0 C--O 1.218 -0.603 0 CA-C-O 120.571 0.224 . . . . 0.0 110.77 178.484 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -69.63 -31.79 70.1 Favored 'General case' 0 C--O 1.21 -1.022 0 CA-C-O 121.024 0.44 . . . . 0.0 110.211 177.577 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -90.45 -40.7 11.88 Favored 'General case' 0 N--CA 1.43 -1.442 0 C-N-CA 119.661 -0.816 . . . . 0.0 111.518 -179.934 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.301 -1.505 0 CA-C-O 121.29 0.566 . . . . 0.0 111.963 179.755 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 19.7 tp . . . . . 0 N--CA 1.426 -1.663 0 N-CA-C 104.227 -2.509 . . . . 0.0 104.227 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -63.71 -31.56 72.77 Favored 'General case' 0 C--N 1.304 -1.381 0 CA-C-O 121.776 0.798 . . . . 0.0 110.818 179.537 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' TYR . . . . . 0.568 ' O ' ' HB3' ' A' ' 10' ' ' HIS . 85.5 m-85 -85.15 -19.98 30.95 Favored 'General case' 0 C--N 1.307 -1.277 0 CA-C-N 115.527 -0.761 . . . . 0.0 111.548 177.331 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 22.7 t-20 -75.95 -60.22 2.42 Favored 'General case' 0 C--N 1.298 -1.665 0 CA-C-N 115.955 -0.566 . . . . 0.0 109.888 177.722 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . 0.486 ' HA ' ' CE ' ' A' ' 8' ' ' MET . 1.7 mmt -77.29 -61.02 2.12 Favored 'General case' 0 C--N 1.303 -1.416 0 N-CA-C 113.756 1.021 . . . . 0.0 113.756 179.788 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -65.29 -49.46 61.3 Favored Glycine 0 C--N 1.318 -0.457 0 N-CA-C 114.528 0.571 . . . . 0.0 114.528 -174.161 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' HIS . . . . . 0.568 ' HB3' ' O ' ' A' ' 6' ' ' TYR . 76.3 t60 -64.29 -42.1 96.55 Favored 'General case' 0 C--N 1.314 -0.965 0 CA-C-O 120.824 0.345 . . . . 0.0 111.054 -177.478 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 32.9 m-85 -68.04 -35.53 78.4 Favored 'General case' 0 C--O 1.211 -0.938 0 C-N-CA 120.777 -0.369 . . . . 0.0 111.994 175.838 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -56.76 -41.59 77.85 Favored 'General case' 0 N--CA 1.468 0.452 0 CA-C-O 120.921 0.391 . . . . 0.0 110.553 179.021 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -64.95 -44.97 93.78 Favored Glycine 0 N--CA 1.437 -1.282 0 CA-C-N 115.646 -0.707 . . . . 0.0 112.526 178.562 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 1.5 mptm? -75.16 -37.95 61.1 Favored 'General case' 0 CA--C 1.503 -0.845 0 N-CA-C 112.526 0.565 . . . . 0.0 112.526 -176.708 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -67.6 -31.09 70.88 Favored 'General case' 0 C--N 1.31 -1.132 0 CA-C-N 116.54 -0.3 . . . . 0.0 111.586 -178.222 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 27.8 m -75.99 -38.96 56.83 Favored 'General case' 0 C--N 1.304 -1.391 0 C-N-CA 119.506 -0.878 . . . . 0.0 111.407 178.145 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 11.5 tt -77.62 -55.23 10.98 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.852 0 C-N-CA 118.65 -1.22 . . . . 0.0 111.748 178.705 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 41.1 m-85 -79.71 -62.4 1.7 Allowed 'General case' 0 C--N 1.319 -0.728 0 N-CA-C 113.465 0.913 . . . . 0.0 113.465 -178.526 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -54.51 -46.8 72.38 Favored Glycine 0 CA--C 1.501 -0.805 0 CA-C-N 115.383 -0.826 . . . . 0.0 113.637 -177.331 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 2.5 tp -66.33 -31.93 73.02 Favored 'General case' 0 N--CA 1.433 -1.295 0 C-N-CA 120.986 -0.286 . . . . 0.0 111.055 179.022 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -66.18 -28.58 68.87 Favored 'General case' 0 C--O 1.216 -0.702 0 CA-C-O 121.212 0.53 . . . . 0.0 109.973 177.371 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -71.13 -31.26 67.52 Favored 'General case' 0 C--N 1.311 -1.108 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.174 176.557 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -89.26 -43.16 11.17 Favored 'General case' 0 C--N 1.299 -1.62 0 N-CA-C 112.258 0.466 . . . . 0.0 112.258 -178.677 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.297 -1.7 0 CA-C-O 121.422 0.63 . . . . 0.0 111.858 178.154 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.531 ' HB3' ' OD1' ' A' ' 7' ' ' ASN . 44.8 tp . . . . . 0 C--O 1.252 1.228 0 N-CA-C 104.959 -2.237 . . . . 0.0 104.959 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -56.15 -38.85 71.41 Favored 'General case' 0 C--N 1.31 -1.122 0 O-C-N 123.997 0.811 . . . . 0.0 111.693 178.937 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' TYR . . . . . 0.504 ' O ' ' HB3' ' A' ' 10' ' ' HIS . 94.1 m-85 -74.19 -29.55 61.81 Favored 'General case' 0 C--N 1.308 -1.233 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.821 178.656 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' ASN . . . . . 0.531 ' OD1' ' HB3' ' A' ' 4' ' ' LEU . 14.3 m120 -71.21 -60.68 2.1 Favored 'General case' 0 C--N 1.299 -1.61 0 CA-C-N 116.398 -0.364 . . . . 0.0 110.709 -178.698 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 26.3 tpp -78.63 -61.58 1.96 Allowed 'General case' 0 C--N 1.301 -1.521 0 N-CA-C 113.45 0.907 . . . . 0.0 113.45 178.001 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -64.7 -47.91 78.26 Favored Glycine 0 N--CA 1.459 0.207 0 CA-C-N 115.896 -0.593 . . . . 0.0 114.496 -172.059 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' HIS . . . . . 0.504 ' HB3' ' O ' ' A' ' 6' ' ' TYR . 78.0 t60 -67.38 -43.4 81.47 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 120.866 0.365 . . . . 0.0 110.31 -178.527 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . 0.521 ' HB2' ' O ' ' A' ' 7' ' ' ASN . 24.9 m-85 -67.99 -28.84 67.77 Favored 'General case' 0 CA--C 1.491 -1.299 0 N-CA-C 113.081 0.771 . . . . 0.0 113.081 177.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -56.48 -37.64 70.62 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 120.867 0.365 . . . . 0.0 110.474 178.924 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -70.34 -45.78 52.95 Favored Glycine 0 N--CA 1.438 -1.175 0 C-N-CA 120.882 -0.675 . . . . 0.0 111.493 177.66 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.41 ' HD2' ' N ' ' A' ' 14' ' ' LYS . 0.5 OUTLIER -70.19 -32.81 70.91 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 112.126 0.417 . . . . 0.0 112.126 -178.38 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -70.55 -28.07 64.63 Favored 'General case' 0 C--O 1.203 -1.363 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.765 178.607 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . 0.489 ' O ' ' HB2' ' A' ' 20' ' ' LEU . 28.0 m -74.87 -37.9 62.06 Favored 'General case' 0 C--N 1.309 -1.171 0 C-N-CA 120.386 -0.525 . . . . 0.0 109.693 177.333 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 7.7 tt -78.17 -56.36 7.76 Favored 'Isoleucine or valine' 0 C--O 1.207 -1.135 0 C-N-CA 118.302 -1.359 . . . . 0.0 111.85 177.17 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 52.2 m-85 -79.03 -53.27 7.19 Favored 'General case' 0 C--N 1.318 -0.763 0 N-CA-C 113.601 0.963 . . . . 0.0 113.601 -176.302 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -61.61 -52.61 49.81 Favored Glycine 0 CA--C 1.5 -0.87 0 CA-C-N 115.516 -0.765 . . . . 0.0 111.428 -177.224 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.489 ' HB2' ' O ' ' A' ' 16' ' ' THR . 2.5 mp -61.74 -30.85 71.05 Favored 'General case' 0 C--N 1.315 -0.912 0 N-CA-C 113.056 0.762 . . . . 0.0 113.056 177.575 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -59.44 -26.19 64.99 Favored 'General case' 0 C--O 1.214 -0.782 0 CA-C-O 120.527 0.203 . . . . 0.0 110.969 175.909 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -70.86 -31.73 68.52 Favored 'General case' 0 C--O 1.212 -0.914 0 CA-C-O 120.811 0.339 . . . . 0.0 111.17 177.014 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' TRP . . . . . 0.401 ' CE3' ' HA ' ' A' ' 23' ' ' TRP . 0.8 OUTLIER -90.61 -40.79 11.72 Favored 'General case' 0 C--N 1.306 -1.283 0 C-N-CA 119.567 -0.853 . . . . 0.0 111.103 -179.693 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.308 -1.213 0 N-CA-C 112.6 0.593 . . . . 0.0 112.6 178.166 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 32.1 ttt180 . . . . . 0 CA--C 1.545 0.786 0 CA-C-O 121.429 0.633 . . . . 0.0 110.048 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 4.3 p-10 -103.06 135.42 44.77 Favored 'General case' 0 C--N 1.311 -1.104 0 CA-C-O 121.005 0.431 . . . . 0.0 111.608 -176.735 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 29.8 ttpt -177.17 142.23 0.35 Allowed 'General case' 0 N--CA 1.433 -1.284 0 N-CA-C 106.229 -1.767 . . . . 0.0 106.229 179.233 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 21.8 tp 177.03 163.45 0.48 Allowed 'General case' 0 CA--C 1.509 -0.604 0 N-CA-C 107.361 -1.348 . . . . 0.0 107.361 -177.266 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -59.35 -30.75 68.61 Favored 'General case' 0 C--N 1.317 -0.819 0 CA-C-O 121.919 0.866 . . . . 0.0 111.081 178.455 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . 0.508 ' O ' ' HB3' ' A' ' 10' ' ' HIS . 97.2 m-85 -83.95 -23.45 31.1 Favored 'General case' 0 C--N 1.311 -1.087 0 CA-C-N 115.379 -0.828 . . . . 0.0 110.969 178.38 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . 0.534 ' O ' ' HB2' ' A' ' 11' ' ' TYR . 22.2 t-20 -76.52 -61.05 2.09 Favored 'General case' 0 C--N 1.298 -1.664 0 CA-C-O 121.209 0.528 . . . . 0.0 110.49 177.263 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . 0.445 ' HA ' ' CE ' ' A' ' 8' ' ' MET . 1.5 mmt -77.68 -61.52 1.97 Allowed 'General case' 0 C--N 1.302 -1.5 0 N-CA-C 113.735 1.013 . . . . 0.0 113.735 -178.276 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -63.57 -44.46 96.51 Favored Glycine 0 CA--C 1.503 -0.688 0 N-CA-C 114.174 0.43 . . . . 0.0 114.174 -175.227 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . 0.508 ' HB3' ' O ' ' A' ' 6' ' ' TYR . 25.6 t60 -68.69 -40.11 80.21 Favored 'General case' 0 C--N 1.315 -0.914 0 C-N-CA 120.388 -0.525 . . . . 0.0 110.32 -178.325 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.534 ' HB2' ' O ' ' A' ' 7' ' ' ASN . 13.0 m-85 -67.25 -33.37 75.19 Favored 'General case' 0 CA--C 1.497 -1.094 0 N-CA-C 112.295 0.48 . . . . 0.0 112.295 175.773 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -58.03 -37.27 74.04 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 109.857 -0.423 . . . . 0.0 109.857 177.277 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . 0.401 ' O ' HG22 ' A' ' 17' ' ' ILE . . . -64.3 -48.09 78.02 Favored Glycine 0 N--CA 1.444 -0.791 0 N-CA-C 111.092 -0.803 . . . . 0.0 111.092 176.448 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.504 ' HE2' ' CE1' ' A' ' 10' ' ' HIS . 5.0 mptp? -63.78 -46.75 83.78 Favored 'General case' 0 CA--C 1.507 -0.674 0 CA-C-O 120.907 0.384 . . . . 0.0 111.406 -179.365 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -66.59 -32.66 74.14 Favored 'General case' 0 C--N 1.306 -1.309 0 CA-C-N 115.811 -0.631 . . . . 0.0 111.614 -177.417 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 26.5 m -75.9 -36.09 59.59 Favored 'General case' 0 C--N 1.311 -1.091 0 C-N-CA 119.635 -0.826 . . . . 0.0 110.977 178.466 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.401 HG22 ' O ' ' A' ' 13' ' ' GLY . 9.0 tp -78.36 -54.92 11.27 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.946 0 C-N-CA 118.514 -1.274 . . . . 0.0 111.63 177.794 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 18.5 m-85 -79.2 -60.7 2.27 Favored 'General case' 0 C--N 1.315 -0.935 0 N-CA-C 112.982 0.734 . . . . 0.0 112.982 -177.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -57.75 -51.43 58.09 Favored Glycine 0 CA--C 1.497 -1.059 0 CA-C-N 115.476 -0.783 . . . . 0.0 112.608 -175.493 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 3.7 tp -63.25 -30.68 71.78 Favored 'General case' 0 C--O 1.205 -1.266 0 CA-C-N 115.487 -0.357 . . . . 0.0 111.651 -179.25 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -60.94 -35.13 75.92 Favored 'General case' 0 C--O 1.214 -0.81 0 CA-C-O 121.02 0.438 . . . . 0.0 110.291 178.59 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.469 ' O ' ' HB3' ' A' ' 26' ' ' LEU . . . -69.7 -31.68 69.84 Favored 'General case' 0 C--N 1.312 -1.039 0 CA-C-O 121.461 0.648 . . . . 0.0 110.592 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' TRP . . . . . 0.456 ' O ' ' HB3' ' A' ' 27' ' ' ALA . 0.5 OUTLIER -89.89 -44.55 9.85 Favored 'General case' 0 C--N 1.292 -1.927 0 N-CA-C 113.392 0.886 . . . . 0.0 113.392 -177.839 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -76.64 -57.16 4.02 Favored 'General case' 0 C--N 1.29 -2.007 0 CA-C-O 121.524 0.678 . . . . 0.0 111.981 -179.727 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 95.8 mt -81.85 -39.15 24.36 Favored 'General case' 0 C--N 1.318 -0.802 0 N-CA-C 114.033 1.123 . . . . 0.0 114.033 -174.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.469 ' HB3' ' O ' ' A' ' 22' ' ' ALA . 54.8 tp -91.45 -16.68 26.94 Favored 'General case' 0 C--N 1.31 -1.129 0 N-CA-C 113.395 0.887 . . . . 0.0 113.395 -172.726 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . 0.456 ' HB3' ' O ' ' A' ' 23' ' ' TRP . . . . . . . . 0 C--N 1.289 -2.055 0 CA-C-O 118.617 -0.706 . . . . 0.0 111.689 -177.658 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 67.6 mtt180 . . . . . 0 CA--C 1.487 -1.475 0 N-CA-C 107.928 -1.138 . . . . 0.0 107.928 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . 0.443 HD22 ' HA ' ' A' ' 8' ' ' MET . 1.4 m-20 -105.27 137.11 43.58 Favored 'General case' 0 C--N 1.292 -1.928 0 C-N-CA 120.697 -0.401 . . . . 0.0 110.548 -171.772 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 18.4 ptmt -158.49 -40.31 0.06 Allowed 'General case' 0 C--N 1.317 -0.841 0 CA-C-N 115.961 -0.563 . . . . 0.0 112.036 179.563 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 24.9 tp -84.93 162.83 19.28 Favored 'General case' 0 C--N 1.29 -2.003 0 CA-C-N 115.42 -0.809 . . . . 0.0 109.611 -178.477 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -54.85 -39.81 69.01 Favored 'General case' 0 CA--C 1.513 -0.463 0 C-N-CA 124.611 1.164 . . . . 0.0 112.143 -177.692 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . 0.508 ' O ' ' HB3' ' A' ' 10' ' ' HIS . 88.9 m-85 -80.46 -19.75 45.33 Favored 'General case' 0 C--N 1.295 -1.772 0 CA-C-N 115.874 -0.603 . . . . 0.0 112.354 179.474 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . 0.482 ' O ' ' HB2' ' A' ' 11' ' ' TYR . 10.2 m120 -76.83 -62.93 1.48 Allowed 'General case' 0 C--O 1.196 -1.751 0 C-N-CA 118.615 -1.234 . . . . 0.0 108.526 178.032 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . 0.443 ' HA ' HD22 ' A' ' 2' ' ' ASN . 35.2 tpp -78.79 -60.89 2.2 Favored 'General case' 0 C--N 1.31 -1.114 0 N-CA-C 114.147 1.166 . . . . 0.0 114.147 -176.871 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -60.47 -45.64 95.86 Favored Glycine 0 CA--C 1.506 -0.476 0 CA-C-N 116.361 -0.382 . . . . 0.0 113.51 -174.924 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . 0.508 ' HB3' ' O ' ' A' ' 6' ' ' TYR . 70.4 t60 -66.77 -43.28 84.43 Favored 'General case' 0 C--N 1.31 -1.117 0 CA-C-O 120.608 0.242 . . . . 0.0 111.122 -179.349 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.482 ' HB2' ' O ' ' A' ' 7' ' ' ASN . 9.0 m-85 -68.14 -32.32 72.52 Favored 'General case' 0 CA--C 1.498 -1.022 0 N-CA-C 112.74 0.645 . . . . 0.0 112.74 178.203 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -56.53 -43.52 79.93 Favored 'General case' 0 CA--C 1.512 -0.516 0 O-C-N 123.256 0.347 . . . . 0.0 110.489 179.797 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -62.85 -39.11 97.6 Favored Glycine 0 N--CA 1.446 -0.683 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.975 179.335 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 1.3 mptm? -75.1 -33.78 61.66 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-O 121.109 0.481 . . . . 0.0 111.585 -179.916 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -72.89 -27.53 61.95 Favored 'General case' 0 C--N 1.307 -1.263 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.522 -179.257 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 19.9 m -74.93 -39.29 61.46 Favored 'General case' 0 C--N 1.308 -1.214 0 C-N-CA 120.058 -0.657 . . . . 0.0 110.35 176.895 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 12.1 tt -76.85 -55.41 10.91 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.823 0 C-N-CA 118.79 -1.164 . . . . 0.0 111.375 178.627 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 32.9 m-85 -78.9 -61.93 1.86 Allowed 'General case' 0 C--N 1.317 -0.831 0 N-CA-C 113.161 0.8 . . . . 0.0 113.161 -178.171 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -55.43 -47.83 73.63 Favored Glycine 0 CA--C 1.502 -0.739 0 CA-C-N 115.264 -0.88 . . . . 0.0 113.53 -176.377 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 1.6 tp -67.62 -31.16 70.99 Favored 'General case' 0 C--N 1.309 -1.186 0 C-N-CA 120.603 -0.439 . . . . 0.0 111.255 179.82 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -67.11 -26.43 66.7 Favored 'General case' 0 C--O 1.214 -0.784 0 CA-C-O 121.026 0.441 . . . . 0.0 110.012 178.295 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.617 ' O ' ' HB3' ' A' ' 26' ' ' LEU . . . -66.93 -31.29 71.78 Favored 'General case' 0 C--N 1.313 -0.983 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.011 176.716 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 0.4 OUTLIER -89.99 -41.32 11.8 Favored 'General case' 0 N--CA 1.426 -1.637 0 C-N-CA 119.077 -1.049 . . . . 0.0 111.626 179.457 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -76.17 -56.03 5.02 Favored 'General case' 0 C--N 1.308 -1.233 0 N-CA-C 112.918 0.711 . . . . 0.0 112.918 -179.52 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 8.0 mp -82.58 -28.75 30.68 Favored 'General case' 0 C--N 1.319 -0.721 0 N-CA-C 114.664 1.357 . . . . 0.0 114.664 -175.52 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.617 ' HB3' ' O ' ' A' ' 22' ' ' ALA . 38.2 tp -97.53 -26.62 14.75 Favored 'General case' 0 C--N 1.317 -0.811 0 N-CA-C 112.721 0.637 . . . . 0.0 112.721 -174.111 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.278 -2.54 0 CA-C-N 115.792 -0.64 . . . . 0.0 111.518 -175.782 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 46.3 mmt-85 . . . . . 0 N--CA 1.464 0.256 0 N-CA-C 109.564 -0.532 . . . . 0.0 109.564 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 27.5 t-20 71.86 104.65 0.07 Allowed 'General case' 0 C--O 1.257 1.477 0 C-N-CA 124.387 1.075 . . . . 0.0 109.904 -173.938 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 12.2 ttpt -77.05 98.73 5.09 Favored 'General case' 0 N--CA 1.439 -0.979 0 CA-C-O 121.457 0.646 . . . . 0.0 109.898 -176.784 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 30.9 tp -132.86 144.98 50.55 Favored 'General case' 0 C--N 1.274 -2.676 0 N-CA-C 106.727 -1.583 . . . . 0.0 106.727 177.414 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -60.42 -34.88 74.58 Favored 'General case' 0 C--N 1.312 -1.024 0 CA-C-O 121.148 0.499 . . . . 0.0 111.1 -179.507 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . 0.55 ' O ' ' HB3' ' A' ' 10' ' ' HIS . 98.3 m-85 -77.38 -27.81 52.65 Favored 'General case' 0 C--N 1.296 -1.756 0 CA-C-N 115.895 -0.593 . . . . 0.0 111.865 179.9 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 86.9 m-20 -77.23 -61.82 1.86 Allowed 'General case' 0 C--N 1.311 -1.091 0 C-N-CA 119.877 -0.729 . . . . 0.0 109.836 177.893 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 70.5 mmm -77.8 -61.06 2.12 Favored 'General case' 0 C--N 1.31 -1.123 0 CA-C-N 115.255 -0.884 . . . . 0.0 113.081 -176.446 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -63.39 -45.71 94.35 Favored Glycine 0 N--CA 1.463 0.47 0 CA-C-N 116.116 -0.493 . . . . 0.0 114.049 -173.682 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . 0.55 ' HB3' ' O ' ' A' ' 6' ' ' TYR . 10.1 t60 -63.35 -40.11 96.39 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.999 0.428 . . . . 0.0 110.533 -179.083 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 18.5 m-85 -73.04 -33.27 65.6 Favored 'General case' 0 C--O 1.203 -1.359 0 N-CA-C 112.273 0.471 . . . . 0.0 112.273 176.288 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -55.83 -50.62 70.05 Favored 'General case' 0 CA--C 1.501 -0.914 0 O-C-N 123.398 0.436 . . . . 0.0 111.087 -178.695 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -60.85 -40.55 98.41 Favored Glycine 0 N--CA 1.445 -0.739 0 O-C-N 123.682 0.614 . . . . 0.0 111.996 179.861 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.54 ' HE3' ' N ' ' A' ' 14' ' ' LYS . 0.7 OUTLIER -75.25 -33.47 61.3 Favored 'General case' 0 N--CA 1.443 -0.816 0 CA-C-O 120.711 0.291 . . . . 0.0 111.328 -177.333 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -71.97 -31.46 66.3 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-N 116.411 -0.359 . . . . 0.0 111.386 179.672 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 26.1 m -73.8 -36.87 65.06 Favored 'General case' 0 C--N 1.301 -1.516 0 C-N-CA 120.31 -0.556 . . . . 0.0 110.433 177.766 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 13.6 tt -78.36 -55.22 10.57 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.17 0 C-N-CA 118.013 -1.475 . . . . 0.0 112.227 176.729 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 33.9 m-85 -78.81 -55.13 5.4 Favored 'General case' 0 C--N 1.321 -0.66 0 N-CA-C 113.54 0.941 . . . . 0.0 113.54 -176.579 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -62.22 -52.36 50.15 Favored Glycine 0 CA--C 1.495 -1.189 0 CA-C-N 115.844 -0.616 . . . . 0.0 112.484 -177.276 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 4.0 tp -60.29 -30.08 69.24 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 115.518 -0.341 . . . . 0.0 111.328 -179.833 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -54.02 -25.56 21.82 Favored 'General case' 0 C--O 1.207 -1.162 0 N-CA-C 112.183 0.438 . . . . 0.0 112.183 176.719 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.516 ' O ' ' HB3' ' A' ' 26' ' ' LEU . . . -66.79 -36.18 81.81 Favored 'General case' 0 C--O 1.212 -0.894 0 CA-C-O 121.026 0.441 . . . . 0.0 110.584 178.576 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' TRP . . . . . 0.411 ' O ' ' HB3' ' A' ' 27' ' ' ALA . 0.2 OUTLIER -91.39 -35.72 14.23 Favored 'General case' 0 C--N 1.305 -1.327 0 CA-C-O 121.287 0.565 . . . . 0.0 111.845 179.898 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -76.86 -60.76 2.22 Favored 'General case' 0 C--N 1.307 -1.279 0 CA-C-N 115.652 -0.704 . . . . 0.0 112.782 179.29 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 34.4 tp -82.34 -45.48 14.85 Favored 'General case' 0 C--N 1.313 -0.984 0 C-N-CA 123.756 0.823 . . . . 0.0 113.092 -174.272 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.516 ' HB3' ' O ' ' A' ' 22' ' ' ALA . 35.8 tp -81.32 -17.98 47.33 Favored 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 112.871 0.693 . . . . 0.0 112.871 -172.416 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . 0.411 ' HB3' ' O ' ' A' ' 23' ' ' TRP . . . . . . . . 0 C--N 1.279 -2.47 0 CA-C-O 118.414 -0.803 . . . . 0.0 111.47 -178.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 34.0 mmt180 . . . . . 0 CA--C 1.498 -1.049 0 N-CA-C 109.377 -0.601 . . . . 0.0 109.377 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 19.5 m120 74.04 157.79 0.2 Allowed 'General case' 0 CA--C 1.51 -0.571 0 N-CA-C 114.927 1.454 . . . . 0.0 114.927 172.306 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 16.8 ptmt -152.35 178.96 8.98 Favored 'General case' 0 C--N 1.299 -1.613 0 CA-C-N 114.13 -1.396 . . . . 0.0 107.332 177.483 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 24.0 tp -170.92 166.2 7.61 Favored 'General case' 0 C--N 1.296 -1.722 0 N-CA-C 105.595 -2.002 . . . . 0.0 105.595 -179.536 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -61.98 -35.03 77.28 Favored 'General case' 0 C--N 1.303 -1.425 0 CA-C-O 121.78 0.8 . . . . 0.0 110.76 177.071 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . 0.512 ' O ' ' HB3' ' A' ' 10' ' ' HIS . 96.1 m-85 -78.58 -25.23 45.25 Favored 'General case' 0 C--N 1.304 -1.392 0 CA-C-N 115.568 -0.742 . . . . 0.0 110.948 178.179 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . 0.498 ' O ' ' HB2' ' A' ' 11' ' ' TYR . 26.5 t-20 -76.22 -61.74 1.84 Allowed 'General case' 0 C--N 1.303 -1.433 0 CA-C-N 115.637 -0.711 . . . . 0.0 109.68 179.606 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . 0.514 ' HA ' ' CE ' ' A' ' 8' ' ' MET . 3.3 mmt -78.53 -61.57 1.96 Allowed 'General case' 0 C--N 1.306 -1.315 0 N-CA-C 114.909 1.448 . . . . 0.0 114.909 -179.326 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -65.77 -46.55 82.37 Favored Glycine 0 C--O 1.247 0.951 0 C-N-CA 121.532 -0.366 . . . . 0.0 114.005 -173.387 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . 0.512 ' HB3' ' O ' ' A' ' 6' ' ' TYR . 58.8 t60 -64.34 -41.81 96.58 Favored 'General case' 0 C--N 1.321 -0.662 0 N-CA-C 110.11 -0.33 . . . . 0.0 110.11 -178.892 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.498 ' HB2' ' O ' ' A' ' 7' ' ' ASN . 16.5 m-85 -71.0 -33.73 70.67 Favored 'General case' 0 C--O 1.214 -0.805 0 N-CA-C 113.048 0.759 . . . . 0.0 113.048 177.146 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -60.26 -45.87 91.78 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-O 120.872 0.368 . . . . 0.0 110.289 178.627 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -68.93 -41.62 81.5 Favored Glycine 0 N--CA 1.442 -0.954 0 N-CA-C 110.813 -0.915 . . . . 0.0 110.813 177.836 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 12.4 mptt -60.24 -42.19 94.74 Favored 'General case' 0 C--N 1.323 -0.553 0 C-N-CA 123.285 0.634 . . . . 0.0 111.914 178.747 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -70.91 -27.28 63.66 Favored 'General case' 0 C--N 1.303 -1.416 0 CA-C-O 120.975 0.417 . . . . 0.0 110.963 179.03 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . 0.503 ' O ' ' HB2' ' A' ' 20' ' ' LEU . 42.3 m -74.4 -38.52 63.08 Favored 'General case' 0 N--CA 1.435 -1.225 0 N-CA-C 109.772 -0.455 . . . . 0.0 109.772 177.612 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 7.8 tp -77.53 -54.25 13.0 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.061 0 C-N-CA 119.071 -1.051 . . . . 0.0 111.43 176.776 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 50.3 m-85 -78.44 -62.75 1.58 Allowed 'General case' 0 C--N 1.319 -0.731 0 N-CA-C 114.165 1.172 . . . . 0.0 114.165 -177.484 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -56.91 -49.11 73.6 Favored Glycine 0 CA--C 1.504 -0.596 0 O-C-N 123.271 0.357 . . . . 0.0 112.457 -177.711 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.503 ' HB2' ' O ' ' A' ' 16' ' ' THR . 4.1 mp -63.29 -30.93 71.98 Favored 'General case' 0 C--O 1.209 -1.077 0 N-CA-C 113.86 1.059 . . . . 0.0 113.86 176.77 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.422 ' O ' ' HB2' ' A' ' 25' ' ' LEU . . . -62.26 -30.97 71.49 Favored 'General case' 0 C--O 1.214 -0.79 0 CA-C-N 118.165 0.438 . . . . 0.0 110.478 176.277 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.645 ' O ' ' HB3' ' A' ' 26' ' ' LEU . . . -72.04 -31.43 66.16 Favored 'General case' 0 C--N 1.306 -1.321 0 CA-C-O 120.732 0.301 . . . . 0.0 110.796 177.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' TRP . . . . . 0.493 ' O ' ' HB3' ' A' ' 27' ' ' ALA . 1.4 t-105 -89.75 -42.97 11.0 Favored 'General case' 0 C--N 1.295 -1.766 0 C-N-CA 119.093 -1.043 . . . . 0.0 111.356 -179.333 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -75.98 -54.3 7.08 Favored 'General case' 0 C--N 1.302 -1.495 0 N-CA-C 112.656 0.613 . . . . 0.0 112.656 179.569 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.422 ' HB2' ' O ' ' A' ' 21' ' ' ALA . 85.2 mt -81.8 -26.78 34.09 Favored 'General case' 0 C--N 1.304 -1.377 0 N-CA-C 114.746 1.387 . . . . 0.0 114.746 -175.185 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.645 ' HB3' ' O ' ' A' ' 22' ' ' ALA . 24.5 tp -100.65 -27.29 13.47 Favored 'General case' 0 C--N 1.308 -1.209 0 N-CA-C 112.836 0.68 . . . . 0.0 112.836 -175.207 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . 0.493 ' HB3' ' O ' ' A' ' 23' ' ' TRP . . . . . . . . 0 C--N 1.277 -2.548 0 CA-C-O 118.196 -0.907 . . . . 0.0 112.211 -174.894 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 40.2 mmt180 . . . . . 0 CA--C 1.502 -0.896 0 N-CA-C 108.1 -1.074 . . . . 0.0 108.1 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 12.0 m120 -118.34 -44.93 2.65 Favored 'General case' 0 C--N 1.294 -1.816 0 CA-C-O 121.648 0.737 . . . . 0.0 109.902 176.747 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . 0.459 ' HG2' ' N ' ' A' ' 4' ' ' LEU . 21.6 ttpt -98.83 154.44 18.02 Favored 'General case' 0 C--N 1.291 -1.971 0 CA-C-N 114.992 -1.003 . . . . 0.0 109.382 -178.159 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.459 ' N ' ' HG2' ' A' ' 3' ' ' LYS . 36.9 tp -157.83 158.23 34.77 Favored 'General case' 0 C--N 1.305 -1.34 0 N-CA-C 106.311 -1.737 . . . . 0.0 106.311 176.563 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -58.26 -44.46 88.39 Favored 'General case' 0 C--N 1.315 -0.91 0 C-N-CA 123.331 0.653 . . . . 0.0 110.38 177.357 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . 0.558 ' O ' ' HB3' ' A' ' 10' ' ' HIS . 79.8 m-85 -75.16 -20.68 59.23 Favored 'General case' 0 C--N 1.304 -1.383 0 CA-C-N 115.3 -0.863 . . . . 0.0 112.132 178.807 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . 0.473 ' O ' ' HB2' ' A' ' 11' ' ' TYR . 28.5 t-20 -75.14 -58.92 2.98 Favored 'General case' 0 C--N 1.304 -1.394 0 CA-C-O 121.684 0.754 . . . . 0.0 109.372 178.215 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . 0.458 ' HA ' ' CE ' ' A' ' 8' ' ' MET . 3.6 mmt -77.2 -57.17 3.98 Favored 'General case' 0 C--N 1.3 -1.575 0 N-CA-C 113.872 1.064 . . . . 0.0 113.872 -179.374 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -72.24 -46.76 32.99 Favored Glycine 0 C--O 1.24 0.524 0 C-N-CA 121.534 -0.365 . . . . 0.0 113.871 -172.412 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . 0.558 ' HB3' ' O ' ' A' ' 6' ' ' TYR . 81.6 t60 -67.8 -43.18 80.28 Favored 'General case' 0 C--N 1.314 -0.947 0 CA-C-O 121.079 0.466 . . . . 0.0 110.579 -177.366 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.473 ' HB2' ' O ' ' A' ' 7' ' ' ASN . 59.5 m-85 -69.14 -28.73 66.71 Favored 'General case' 0 C--O 1.199 -1.567 0 C-N-CA 120.51 -0.476 . . . . 0.0 111.97 176.508 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -56.76 -42.97 80.31 Favored 'General case' 0 N--CA 1.467 0.385 0 CA-C-N 117.994 0.361 . . . . 0.0 110.586 177.06 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -71.8 -46.5 37.7 Favored Glycine 0 N--CA 1.44 -1.076 0 C-N-CA 120.367 -0.921 . . . . 0.0 111.788 178.521 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 12.6 mptt -71.06 -31.55 68.0 Favored 'General case' 0 C--N 1.318 -0.769 0 N-CA-C 113.113 0.782 . . . . 0.0 113.113 -175.566 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -75.09 -28.98 60.49 Favored 'General case' 0 C--O 1.202 -1.42 0 C-N-CA 120.988 -0.285 . . . . 0.0 110.357 178.044 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 29.7 m -76.16 -37.62 57.7 Favored 'General case' 0 C--N 1.304 -1.372 0 C-N-CA 119.99 -0.684 . . . . 0.0 111.109 178.436 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 9.0 tp -77.8 -55.16 11.04 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.95 0 C-N-CA 118.615 -1.234 . . . . 0.0 111.254 176.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 40.5 m-85 -79.34 -61.94 1.85 Allowed 'General case' 0 C--N 1.322 -0.621 0 N-CA-C 113.829 1.048 . . . . 0.0 113.829 -178.274 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -55.71 -47.78 75.83 Favored Glycine 0 CA--C 1.503 -0.714 0 CA-C-N 115.607 -0.724 . . . . 0.0 113.465 -176.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 4.4 tp -65.16 -30.68 71.62 Favored 'General case' 0 N--CA 1.428 -1.526 0 CA-C-N 115.817 -0.191 . . . . 0.0 111.076 -178.811 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.401 ' O ' ' HB2' ' A' ' 25' ' ' LEU . . . -60.93 -28.33 68.86 Favored 'General case' 0 C--O 1.22 -0.448 0 CA-C-O 121.141 0.496 . . . . 0.0 110.698 177.458 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.554 ' O ' ' HB3' ' A' ' 26' ' ' LEU . . . -74.5 -31.85 62.32 Favored 'General case' 0 C--N 1.313 -0.994 0 CA-C-O 121.223 0.535 . . . . 0.0 110.572 178.522 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' TRP . . . . . 0.434 ' O ' ' HB3' ' A' ' 27' ' ' ALA . 0.4 OUTLIER -89.87 -46.21 8.71 Favored 'General case' 0 C--N 1.296 -1.732 0 N-CA-C 112.557 0.577 . . . . 0.0 112.557 -178.521 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -76.35 -55.81 5.21 Favored 'General case' 0 C--N 1.293 -1.874 0 CA-C-O 121.341 0.591 . . . . 0.0 111.992 -179.44 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.401 ' HB2' ' O ' ' A' ' 21' ' ' ALA . 78.1 mt -81.68 -31.06 32.38 Favored 'General case' 0 C--N 1.316 -0.862 0 N-CA-C 114.789 1.403 . . . . 0.0 114.789 -174.881 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.554 ' HB3' ' O ' ' A' ' 22' ' ' ALA . 60.6 tp -99.31 -19.76 16.88 Favored 'General case' 0 C--N 1.31 -1.124 0 N-CA-C 112.564 0.579 . . . . 0.0 112.564 -173.122 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . 0.434 ' HB3' ' O ' ' A' ' 23' ' ' TRP . . . . . . . . 0 C--N 1.285 -2.218 0 CA-C-O 118.214 -0.898 . . . . 0.0 111.976 -176.474 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 50.8 mtt-85 . . . . . 0 CA--C 1.494 -1.196 0 N-CA-C 108.132 -1.062 . . . . 0.0 108.132 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 43.5 m-80 -82.85 111.66 18.95 Favored 'General case' 0 C--N 1.305 -1.341 0 N-CA-C 107.956 -1.127 . . . . 0.0 107.956 174.907 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . 0.433 ' HE2' ' HB3' ' A' ' 3' ' ' LYS . 28.9 ttpt -142.54 139.01 31.28 Favored 'General case' 0 C--N 1.299 -1.592 0 N-CA-C 108.583 -0.895 . . . . 0.0 108.583 177.605 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 36.2 tp -177.01 167.24 2.46 Favored 'General case' 0 C--N 1.312 -1.058 0 N-CA-C 105.697 -1.964 . . . . 0.0 105.697 -177.35 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -62.73 -34.73 77.78 Favored 'General case' 0 C--N 1.31 -1.125 0 CA-C-O 121.92 0.867 . . . . 0.0 110.439 177.431 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . 0.639 ' O ' ' HB3' ' A' ' 10' ' ' HIS . 76.8 m-85 -80.41 -17.0 53.11 Favored 'General case' 0 C--N 1.305 -1.356 0 CA-C-N 115.328 -0.851 . . . . 0.0 111.584 176.363 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . 0.499 ' O ' ' HB2' ' A' ' 11' ' ' TYR . 26.1 t-20 -77.54 -60.85 2.2 Favored 'General case' 0 C--N 1.294 -1.841 0 CA-C-O 121.532 0.682 . . . . 0.0 109.403 175.3 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . 0.456 ' HA ' ' CE ' ' A' ' 8' ' ' MET . 2.8 mmt -76.4 -61.9 1.8 Allowed 'General case' 0 C--O 1.207 -1.162 0 N-CA-C 113.009 0.744 . . . . 0.0 113.009 -176.438 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -62.19 -46.13 94.59 Favored Glycine 0 C--O 1.238 0.376 0 N-CA-C 114.234 0.454 . . . . 0.0 114.234 -175.797 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . 0.639 ' HB3' ' O ' ' A' ' 6' ' ' TYR . 44.3 t60 -65.93 -42.94 89.44 Favored 'General case' 0 C--N 1.316 -0.867 0 CA-C-O 120.367 0.127 . . . . 0.0 110.99 -178.801 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.499 ' HB2' ' O ' ' A' ' 7' ' ' ASN . 35.2 m-85 -73.04 -35.18 66.68 Favored 'General case' 0 CA--C 1.496 -1.128 0 N-CA-C 112.877 0.695 . . . . 0.0 112.877 177.579 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -59.27 -42.05 90.29 Favored 'General case' 0 CA--C 1.508 -0.64 0 N-CA-C 109.628 -0.508 . . . . 0.0 109.628 177.58 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -63.13 -47.42 88.46 Favored Glycine 0 N--CA 1.443 -0.87 0 C-N-CA 120.753 -0.737 . . . . 0.0 111.619 177.509 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 12.5 mptt -68.4 -39.07 81.78 Favored 'General case' 0 CA--C 1.507 -0.694 0 N-CA-C 112.645 0.609 . . . . 0.0 112.645 -177.92 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -72.97 -32.29 65.11 Favored 'General case' 0 C--N 1.301 -1.509 0 CA-C-N 116.601 -0.272 . . . . 0.0 110.977 179.679 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . 0.408 HG23 HD22 ' A' ' 20' ' ' LEU . 43.6 m -75.97 -37.28 58.74 Favored 'General case' 0 C--N 1.303 -1.435 0 C-N-CA 120.317 -0.553 . . . . 0.0 111.544 177.662 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 10.6 tp -77.04 -54.66 12.56 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.924 0 C-N-CA 118.628 -1.229 . . . . 0.0 111.371 178.565 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 53.1 m-85 -79.18 -61.16 2.1 Favored 'General case' 0 C--N 1.318 -0.794 0 N-CA-C 113.964 1.098 . . . . 0.0 113.964 -179.543 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -57.75 -52.72 50.39 Favored Glycine 0 CA--C 1.501 -0.798 0 CA-C-N 115.571 -0.741 . . . . 0.0 113.096 -175.489 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.408 HD22 HG23 ' A' ' 16' ' ' THR . 2.3 tp -61.71 -29.88 70.39 Favored 'General case' 0 C--N 1.309 -1.169 0 N-CA-C 111.517 0.191 . . . . 0.0 111.517 -179.884 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -60.39 -29.69 69.11 Favored 'General case' 0 C--N 1.35 0.589 0 CA-C-O 120.761 0.315 . . . . 0.0 110.862 178.713 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.675 ' O ' ' HB3' ' A' ' 26' ' ' LEU . . . -70.61 -31.61 68.64 Favored 'General case' 0 C--N 1.315 -0.894 0 CA-C-O 121.168 0.509 . . . . 0.0 110.765 178.02 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' TRP . . . . . 0.482 ' O ' ' HB3' ' A' ' 27' ' ' ALA . 0.8 OUTLIER -90.75 -40.6 11.73 Favored 'General case' 0 C--N 1.301 -1.542 0 C-N-CA 119.541 -0.864 . . . . 0.0 111.772 -178.923 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -76.76 -60.67 2.25 Favored 'General case' 0 C--N 1.304 -1.388 0 CA-C-O 121.333 0.587 . . . . 0.0 111.905 179.623 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 96.1 mt -81.84 -28.19 33.17 Favored 'General case' 0 C--N 1.312 -1.063 0 N-CA-C 114.599 1.333 . . . . 0.0 114.599 -173.439 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.675 ' HB3' ' O ' ' A' ' 22' ' ' ALA . 28.8 tp -94.15 -27.41 16.23 Favored 'General case' 0 C--N 1.31 -1.114 0 N-CA-C 112.724 0.638 . . . . 0.0 112.724 -175.107 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . 0.482 ' HB3' ' O ' ' A' ' 23' ' ' TRP . . . . . . . . 0 C--N 1.278 -2.518 0 CA-C-O 118.384 -0.817 . . . . 0.0 112.275 -173.432 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 21.2 mtp180 . . . . . 0 N--CA 1.456 -0.16 0 CA-C-O 120.791 0.329 . . . . 0.0 111.609 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 25.6 p-10 -97.75 155.25 17.11 Favored 'General case' 0 C--N 1.308 -1.238 0 N-CA-C 108.236 -1.024 . . . . 0.0 108.236 177.432 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . 0.422 ' HE2' ' HB3' ' A' ' 3' ' ' LYS . 26.9 ttpt -136.28 145.56 45.68 Favored 'General case' 0 C--N 1.312 -1.044 0 C-N-CA 120.486 -0.486 . . . . 0.0 111.336 -175.57 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 35.3 tp -171.68 167.93 6.37 Favored 'General case' 0 C--O 1.241 0.658 0 N-CA-C 106.526 -1.657 . . . . 0.0 106.526 177.073 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -61.17 -41.98 97.74 Favored 'General case' 0 CA--C 1.513 -0.466 0 N-CA-C 112.349 0.5 . . . . 0.0 112.349 -175.83 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . 0.58 ' O ' ' HB3' ' A' ' 10' ' ' HIS . 92.0 m-85 -79.28 -22.95 43.97 Favored 'General case' 0 C--N 1.3 -1.545 0 C-N-CA 120.528 -0.469 . . . . 0.0 111.162 178.739 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . 0.466 ' O ' ' HB2' ' A' ' 11' ' ' TYR . 51.1 t-20 -75.54 -61.61 1.85 Allowed 'General case' 0 C--N 1.297 -1.691 0 C-N-CA 120.143 -0.623 . . . . 0.0 109.367 -179.847 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -77.6 -50.77 11.84 Favored 'General case' 0 C--N 1.297 -1.68 0 CA-C-N 115.828 -0.624 . . . . 0.0 112.192 -176.803 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -74.15 -45.82 24.03 Favored Glycine 0 N--CA 1.447 -0.587 0 N-CA-C 114.425 0.53 . . . . 0.0 114.425 -173.293 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . 0.58 ' HB3' ' O ' ' A' ' 6' ' ' TYR . 60.7 t60 -67.23 -36.46 81.73 Favored 'General case' 0 C--N 1.312 -1.034 0 CA-C-O 121.001 0.429 . . . . 0.0 110.087 -178.466 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.466 ' HB2' ' O ' ' A' ' 7' ' ' ASN . 25.8 m-85 -72.61 -29.67 63.68 Favored 'General case' 0 N--CA 1.442 -0.841 0 N-CA-C 112.393 0.516 . . . . 0.0 112.393 174.945 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -62.38 -46.13 90.03 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 109.2 -0.667 . . . . 0.0 109.2 175.756 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -63.86 -45.85 93.16 Favored Glycine 0 C--N 1.321 -0.29 0 N-CA-C 111.104 -0.798 . . . . 0.0 111.104 177.391 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.407 ' HB2' ' HA ' ' A' ' 11' ' ' TYR . 9.9 mptt -56.32 -51.44 68.23 Favored 'General case' 0 C--N 1.325 -0.466 0 C-N-CA 124.036 0.935 . . . . 0.0 111.046 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -70.62 -27.62 64.22 Favored 'General case' 0 C--O 1.208 -1.085 0 CA-C-N 115.612 -0.722 . . . . 0.0 111.614 -177.586 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . 0.519 ' O ' ' HB2' ' A' ' 20' ' ' LEU . 91.2 m -75.16 -39.54 60.29 Favored 'General case' 0 C--N 1.304 -1.397 0 C-N-CA 120.45 -0.5 . . . . 0.0 110.774 177.86 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 8.3 tp -77.75 -54.27 12.83 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.381 0 C-N-CA 118.44 -1.304 . . . . 0.0 111.805 177.836 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 40.7 m-85 -79.02 -62.04 1.82 Allowed 'General case' 0 C--N 1.318 -0.764 0 N-CA-C 113.465 0.913 . . . . 0.0 113.465 -178.139 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -56.52 -47.44 83.94 Favored Glycine 0 CA--C 1.502 -0.73 0 CA-C-N 116.253 -0.43 . . . . 0.0 113.142 -177.449 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.519 ' HB2' ' O ' ' A' ' 16' ' ' THR . 4.1 mp -65.0 -32.18 73.77 Favored 'General case' 0 C--O 1.2 -1.539 0 N-CA-C 113.081 0.771 . . . . 0.0 113.081 176.366 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.509 ' O ' ' HB3' ' A' ' 25' ' ' LEU . . . -65.4 -26.71 68.11 Favored 'General case' 0 C--O 1.208 -1.102 0 CA-C-N 118.086 0.403 . . . . 0.0 110.474 175.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.502 ' O ' ' HB3' ' A' ' 26' ' ' LEU . . . -72.63 -32.65 66.07 Favored 'General case' 0 C--N 1.308 -1.22 0 C-N-CA 120.402 -0.519 . . . . 0.0 110.105 177.766 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' TRP . . . . . 0.493 ' O ' ' HB3' ' A' ' 27' ' ' ALA . 0.3 OUTLIER -91.0 -42.44 10.54 Favored 'General case' 0 C--O 1.205 -1.275 0 N-CA-C 113.392 0.886 . . . . 0.0 113.392 -179.448 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -76.79 -56.36 4.67 Favored 'General case' 0 C--N 1.297 -1.687 0 N-CA-C 112.521 0.563 . . . . 0.0 112.521 178.521 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.509 ' HB3' ' O ' ' A' ' 21' ' ' ALA . 32.6 tp -81.33 -42.88 19.9 Favored 'General case' 0 C--N 1.311 -1.099 0 N-CA-C 113.614 0.968 . . . . 0.0 113.614 -173.708 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.502 ' HB3' ' O ' ' A' ' 22' ' ' ALA . 37.0 tp -88.36 -17.18 31.13 Favored 'General case' 0 C--N 1.315 -0.923 0 N-CA-C 113.05 0.759 . . . . 0.0 113.05 -171.693 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . 0.493 ' HB3' ' O ' ' A' ' 23' ' ' TRP . . . . . . . . 0 C--N 1.286 -2.168 0 CA-C-O 119.017 -0.516 . . . . 0.0 112.053 -176.586 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 91.0 mtt180 . . . . . 0 CA--C 1.502 -0.871 0 N-CA-C 108.7 -0.852 . . . . 0.0 108.7 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 20.2 m120 72.17 14.57 5.58 Favored 'General case' 0 CA--C 1.511 -0.529 0 C-N-CA 124.425 1.09 . . . . 0.0 113.34 176.327 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 22.9 ttpt -61.08 133.87 56.48 Favored 'General case' 0 C--O 1.238 0.491 0 N-CA-C 108.281 -1.007 . . . . 0.0 108.281 177.087 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.427 ' HG ' ' H ' ' A' ' 6' ' ' TYR . 56.2 tp -169.33 157.94 7.8 Favored 'General case' 0 C--N 1.295 -1.79 0 N-CA-C 106.991 -1.485 . . . . 0.0 106.991 -173.929 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -53.69 -38.54 64.31 Favored 'General case' 0 C--N 1.316 -0.863 0 O-C-N 123.907 0.755 . . . . 0.0 111.059 175.495 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . 0.475 ' O ' ' HB3' ' A' ' 10' ' ' HIS . 71.0 m-85 -76.96 -23.19 52.37 Favored 'General case' 0 C--N 1.315 -0.906 0 CA-C-N 115.893 -0.594 . . . . 0.0 112.009 177.498 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . 0.527 ' O ' ' HB2' ' A' ' 11' ' ' TYR . 26.6 t-20 -75.62 -57.22 4.01 Favored 'General case' 0 C--O 1.198 -1.657 0 CA-C-O 121.597 0.713 . . . . 0.0 109.612 178.011 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . 0.487 ' HA ' ' CE ' ' A' ' 8' ' ' MET . 3.0 mmt -77.34 -60.51 2.34 Favored 'General case' 0 C--N 1.29 -1.983 0 N-CA-C 112.97 0.73 . . . . 0.0 112.97 -178.775 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -69.22 -46.18 58.59 Favored Glycine 0 N--CA 1.443 -0.859 0 CA-C-N 115.76 -0.655 . . . . 0.0 113.984 -173.525 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . 0.475 ' HB3' ' O ' ' A' ' 6' ' ' TYR . 72.1 t60 -72.07 -39.9 68.69 Favored 'General case' 0 C--N 1.314 -0.944 0 C-N-CA 120.217 -0.593 . . . . 0.0 111.757 -176.826 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.527 ' HB2' ' O ' ' A' ' 7' ' ' ASN . 26.9 m-85 -63.95 -32.07 73.47 Favored 'General case' 0 CA--C 1.491 -1.323 0 C-N-CA 120.593 -0.443 . . . . 0.0 111.454 175.704 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -56.23 -37.77 70.17 Favored 'General case' 0 C--O 1.224 -0.242 0 O-C-N 123.5 0.5 . . . . 0.0 110.499 178.732 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -70.13 -47.81 43.07 Favored Glycine 0 N--CA 1.443 -0.873 0 C-N-CA 120.549 -0.834 . . . . 0.0 111.61 177.518 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -68.94 -32.67 72.43 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 112.35 0.5 . . . . 0.0 112.35 -178.003 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -74.91 -28.5 60.65 Favored 'General case' 0 C--N 1.304 -1.386 0 CA-C-N 116.645 -0.252 . . . . 0.0 110.741 178.296 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 45.6 m -75.48 -38.27 59.65 Favored 'General case' 0 C--N 1.306 -1.311 0 C-N-CA 119.938 -0.705 . . . . 0.0 110.804 176.797 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 7.2 tp -77.44 -56.04 8.93 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.086 0 C-N-CA 118.601 -1.24 . . . . 0.0 111.489 177.469 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 32.5 m-85 -78.59 -53.64 6.98 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 113.537 0.94 . . . . 0.0 113.537 -177.504 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -63.54 -51.87 50.85 Favored Glycine 0 CA--C 1.501 -0.783 0 CA-C-N 115.694 -0.684 . . . . 0.0 112.401 -175.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 3.2 tp -60.15 -30.14 69.11 Favored 'General case' 0 C--N 1.316 -0.866 0 CA-C-O 119.735 -0.174 . . . . 0.0 111.227 -179.836 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.434 ' O ' ' HB2' ' A' ' 25' ' ' LEU . . . -59.87 -31.26 69.61 Favored 'General case' 0 C--O 1.214 -0.811 0 CA-C-O 120.727 0.299 . . . . 0.0 110.606 176.774 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.577 ' O ' ' HB3' ' A' ' 26' ' ' LEU . . . -72.44 -31.46 65.48 Favored 'General case' 0 C--O 1.21 -1.0 0 CA-C-O 120.871 0.367 . . . . 0.0 110.728 178.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -90.17 -42.85 10.82 Favored 'General case' 0 C--N 1.299 -1.597 0 C-N-CA 120.23 -0.588 . . . . 0.0 112.331 -178.281 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -76.14 -56.48 4.61 Favored 'General case' 0 C--N 1.307 -1.245 0 CA-C-O 121.574 0.702 . . . . 0.0 112.053 179.416 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.434 ' HB2' ' O ' ' A' ' 21' ' ' ALA . 95.0 mt -81.29 -36.09 30.28 Favored 'General case' 0 C--N 1.311 -1.076 0 N-CA-C 114.278 1.214 . . . . 0.0 114.278 -174.156 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.577 ' HB3' ' O ' ' A' ' 22' ' ' ALA . 29.2 tp -93.1 -22.19 19.25 Favored 'General case' 0 C--N 1.313 -0.987 0 N-CA-C 113.178 0.807 . . . . 0.0 113.178 -172.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.282 -2.34 0 CA-C-O 118.758 -0.639 . . . . 0.0 111.518 -176.215 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 85.8 mtt180 . . . . . 0 CA--C 1.507 -0.691 0 N-CA-C 107.65 -1.241 . . . . 0.0 107.65 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 93.4 m-20 -113.72 119.13 36.33 Favored 'General case' 0 CA--C 1.487 -1.479 0 N-CA-C 109.737 -0.468 . . . . 0.0 109.737 178.924 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -84.91 100.85 11.88 Favored 'General case' 0 N--CA 1.419 -1.998 0 N-CA-C 108.719 -0.845 . . . . 0.0 108.719 176.056 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 22.2 tp -138.72 151.98 47.6 Favored 'General case' 0 C--N 1.288 -2.104 0 N-CA-C 106.871 -1.529 . . . . 0.0 106.871 -178.018 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -63.88 -28.6 69.95 Favored 'General case' 0 C--O 1.216 -0.682 0 O-C-N 124.096 0.873 . . . . 0.0 111.177 -178.494 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . 0.579 ' O ' ' HB3' ' A' ' 10' ' ' HIS . 98.7 m-85 -78.66 -29.16 45.56 Favored 'General case' 0 C--N 1.299 -1.588 0 CA-C-N 115.656 -0.702 . . . . 0.0 111.035 178.846 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . 0.453 ' O ' ' HB2' ' A' ' 11' ' ' TYR . 56.1 t30 -76.57 -60.45 2.34 Favored 'General case' 0 C--N 1.306 -1.287 0 CA-C-O 121.054 0.454 . . . . 0.0 110.006 179.067 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . 0.494 ' HA ' ' CE ' ' A' ' 8' ' ' MET . 6.0 mmt -77.24 -61.11 2.09 Favored 'General case' 0 C--N 1.315 -0.894 0 N-CA-C 114.75 1.389 . . . . 0.0 114.75 -179.932 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -63.36 -46.59 92.41 Favored Glycine 0 CA--C 1.505 -0.539 0 N-CA-C 114.742 0.657 . . . . 0.0 114.742 -174.868 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . 0.579 ' HB3' ' O ' ' A' ' 6' ' ' TYR . 43.1 t60 -66.58 -40.58 88.99 Favored 'General case' 0 C--N 1.312 -1.043 0 CA-C-O 120.753 0.311 . . . . 0.0 110.452 -177.823 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.453 ' HB2' ' O ' ' A' ' 7' ' ' ASN . 49.0 m-85 -73.18 -28.6 62.3 Favored 'General case' 0 CA--C 1.506 -0.747 0 N-CA-C 113.485 0.92 . . . . 0.0 113.485 177.583 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -55.94 -43.16 77.18 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.011 0.434 . . . . 0.0 110.578 177.784 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -74.9 -42.03 31.58 Favored Glycine 0 N--CA 1.441 -1.004 0 C-N-CA 120.408 -0.901 . . . . 0.0 111.459 178.211 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 13.2 mptt -66.55 -36.43 82.65 Favored 'General case' 0 C--N 1.319 -0.757 0 N-CA-C 113.571 0.952 . . . . 0.0 113.571 -177.184 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -71.8 -28.1 63.38 Favored 'General case' 0 C--O 1.199 -1.576 0 C-N-CA 120.58 -0.448 . . . . 0.0 110.111 177.665 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 18.8 m -75.64 -40.9 55.45 Favored 'General case' 0 C--N 1.305 -1.355 0 C-N-CA 119.981 -0.688 . . . . 0.0 111.442 177.268 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 12.2 tt -77.53 -55.4 10.57 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.938 0 C-N-CA 118.679 -1.208 . . . . 0.0 111.969 177.64 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 22.1 m-85 -79.0 -56.14 4.61 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 121.334 0.587 . . . . 0.0 112.463 -176.766 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -59.87 -50.58 66.17 Favored Glycine 0 CA--C 1.501 -0.833 0 CA-C-N 115.028 -0.987 . . . . 0.0 113.112 -176.08 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 3.6 tp -63.31 -30.89 71.94 Favored 'General case' 0 N--CA 1.434 -1.266 0 CA-C-N 115.764 -0.218 . . . . 0.0 111.117 179.394 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.442 ' O ' ' HB2' ' A' ' 25' ' ' LEU . . . -65.4 -31.88 73.21 Favored 'General case' 0 C--O 1.2 -1.515 0 N-CA-C 109.837 -0.431 . . . . 0.0 109.837 175.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.61 ' O ' ' HB3' ' A' ' 26' ' ' LEU . . . -67.76 -31.53 71.5 Favored 'General case' 0 C--O 1.207 -1.17 0 CA-C-O 121.321 0.582 . . . . 0.0 110.049 176.851 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' TRP . . . . . 0.415 ' O ' ' HB3' ' A' ' 27' ' ' ALA . 0.1 OUTLIER -86.07 -43.88 12.74 Favored 'General case' 0 C--N 1.293 -1.886 0 C-N-CA 120.285 -0.566 . . . . 0.0 111.728 179.912 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -75.41 -54.41 7.1 Favored 'General case' 0 C--N 1.302 -1.461 0 CA-C-O 121.327 0.584 . . . . 0.0 111.942 -179.898 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.442 ' HB2' ' O ' ' A' ' 21' ' ' ALA . 83.2 mt -81.37 -34.93 31.39 Favored 'General case' 0 C--N 1.308 -1.216 0 N-CA-C 113.985 1.106 . . . . 0.0 113.985 -175.117 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.61 ' HB3' ' O ' ' A' ' 22' ' ' ALA . 41.3 tp -97.4 -20.02 18.07 Favored 'General case' 0 C--N 1.312 -1.045 0 N-CA-C 113.531 0.938 . . . . 0.0 113.531 -172.215 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . 0.415 ' HB3' ' O ' ' A' ' 23' ' ' TRP . . . . . . . . 0 C--N 1.282 -2.33 0 CA-C-O 118.131 -0.938 . . . . 0.0 111.741 -176.537 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 28.8 mmt180 . . . . . 0 CA--C 1.493 -1.231 0 N-CA-C 108.987 -0.746 . . . . 0.0 108.987 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 64.2 t30 -87.61 86.47 7.2 Favored 'General case' 0 C--N 1.307 -1.255 0 CA-C-O 121.838 0.828 . . . . 0.0 110.73 -178.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 19.8 ttpt -107.48 131.19 54.58 Favored 'General case' 0 C--N 1.299 -1.588 0 N-CA-C 108.371 -0.974 . . . . 0.0 108.371 -179.472 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.409 ' HG ' ' H ' ' A' ' 6' ' ' TYR . 46.8 tp -174.71 151.07 1.4 Allowed 'General case' 0 C--N 1.309 -1.179 0 N-CA-C 107.08 -1.452 . . . . 0.0 107.08 179.251 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -56.58 -29.31 61.92 Favored 'General case' 0 C--N 1.316 -0.849 0 C-N-CA 123.633 0.773 . . . . 0.0 111.881 178.69 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . 0.603 ' O ' ' HB3' ' A' ' 10' ' ' HIS . 97.3 m-85 -84.81 -18.64 34.3 Favored 'General case' 0 C--N 1.304 -1.401 0 CA-C-N 115.763 -0.653 . . . . 0.0 111.542 -178.802 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . 0.486 ' O ' ' HB2' ' A' ' 11' ' ' TYR . 81.3 m-20 -77.17 -59.5 2.75 Favored 'General case' 0 C--N 1.296 -1.75 0 CA-C-O 121.578 0.704 . . . . 0.0 109.322 174.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . 0.462 ' HA ' ' CE ' ' A' ' 8' ' ' MET . 3.1 mmt -77.17 -61.48 1.97 Allowed 'General case' 0 C--N 1.304 -1.376 0 N-CA-C 113.861 1.06 . . . . 0.0 113.861 -178.127 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -67.6 -44.89 80.81 Favored Glycine 0 CA--C 1.505 -0.551 0 N-CA-C 114.555 0.582 . . . . 0.0 114.555 -175.126 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . 0.603 ' HB3' ' O ' ' A' ' 6' ' ' TYR . 30.9 t60 -65.62 -39.72 91.8 Favored 'General case' 0 C--N 1.311 -1.094 0 C-N-CA 120.638 -0.425 . . . . 0.0 110.353 -179.608 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.486 ' HB2' ' O ' ' A' ' 7' ' ' ASN . 20.2 m-85 -68.29 -29.7 68.53 Favored 'General case' 0 CA--C 1.499 -0.996 0 N-CA-C 112.562 0.578 . . . . 0.0 112.562 176.112 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -57.77 -34.01 69.11 Favored 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 109.565 -0.531 . . . . 0.0 109.565 175.524 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . 0.418 ' O ' HG22 ' A' ' 17' ' ' ILE . . . -66.61 -51.52 41.21 Favored Glycine 0 N--CA 1.436 -1.32 0 C-N-CA 120.821 -0.704 . . . . 0.0 111.728 176.669 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.83 -35.72 75.01 Favored 'General case' 0 CA--C 1.497 -1.063 0 N-CA-C 112.461 0.541 . . . . 0.0 112.461 -176.004 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -71.43 -31.99 67.84 Favored 'General case' 0 C--N 1.305 -1.363 0 C-N-CA 120.631 -0.428 . . . . 0.0 111.214 -179.23 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . 0.409 ' O ' ' HB2' ' A' ' 20' ' ' LEU . 24.6 m -75.56 -40.61 56.47 Favored 'General case' 0 C--N 1.305 -1.332 0 C-N-CA 120.055 -0.658 . . . . 0.0 110.81 178.344 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.418 HG22 ' O ' ' A' ' 13' ' ' GLY . 7.9 tp -77.41 -55.66 9.95 Favored 'Isoleucine or valine' 0 C--O 1.204 -1.301 0 C-N-CA 118.684 -1.206 . . . . 0.0 111.997 178.473 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 24.7 m-85 -78.88 -59.74 2.66 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 112.456 0.539 . . . . 0.0 112.456 -177.375 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -56.1 -52.2 50.78 Favored Glycine 0 N--CA 1.465 0.575 0 CA-C-N 115.559 -0.746 . . . . 0.0 112.451 -176.685 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.409 ' HB2' ' O ' ' A' ' 16' ' ' THR . 1.8 mp -63.24 -30.68 71.78 Favored 'General case' 0 C--N 1.309 -1.182 0 N-CA-C 113.279 0.844 . . . . 0.0 113.279 177.286 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.87 -27.51 69.39 Favored 'General case' 0 C--O 1.216 -0.703 0 CA-C-O 120.951 0.405 . . . . 0.0 110.637 177.324 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.565 ' O ' ' HB3' ' A' ' 26' ' ' LEU . . . -71.44 -32.22 68.1 Favored 'General case' 0 C--N 1.308 -1.229 0 CA-C-O 121.101 0.477 . . . . 0.0 110.323 179.445 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' TRP . . . . . 0.537 ' O ' ' HB3' ' A' ' 27' ' ' ALA . 0.3 OUTLIER -90.7 -42.3 10.8 Favored 'General case' 0 N--CA 1.429 -1.52 0 C-N-CA 120.322 -0.551 . . . . 0.0 112.174 -179.781 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -75.99 -58.6 3.19 Favored 'General case' 0 C--N 1.303 -1.431 0 N-CA-C 112.356 0.502 . . . . 0.0 112.356 178.621 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 97.1 mt -81.84 -35.95 28.84 Favored 'General case' 0 C--N 1.315 -0.918 0 N-CA-C 114.724 1.379 . . . . 0.0 114.724 -174.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.565 ' HB3' ' O ' ' A' ' 22' ' ' ALA . 41.4 tp -90.28 -17.76 26.83 Favored 'General case' 0 C--N 1.31 -1.115 0 N-CA-C 112.659 0.615 . . . . 0.0 112.659 -173.773 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . 0.537 ' HB3' ' O ' ' A' ' 23' ' ' TRP . . . . . . . . 0 C--N 1.287 -2.11 0 CA-C-O 118.105 -0.95 . . . . 0.0 111.401 -178.378 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 58.1 mtp180 . . . . . 0 N--CA 1.472 0.668 0 CA-C-O 121.618 0.723 . . . . 0.0 110.928 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 27.9 p-10 -110.22 4.46 20.99 Favored 'General case' 0 C--N 1.308 -1.222 0 CA-C-N 115.416 -0.811 . . . . 0.0 109.513 -178.894 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 21.5 ttpt -65.57 127.01 30.13 Favored 'General case' 0 N--CA 1.444 -0.759 0 CA-C-N 115.829 -0.623 . . . . 0.0 109.648 -178.876 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.411 ' H ' ' HB3' ' A' ' 7' ' ' ASN . 43.0 tp -163.78 164.41 23.66 Favored 'General case' 0 C--N 1.302 -1.459 0 N-CA-C 107.008 -1.479 . . . . 0.0 107.008 -177.005 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -58.6 -41.43 85.8 Favored 'General case' 0 C--N 1.314 -0.969 0 CA-C-O 121.487 0.661 . . . . 0.0 110.833 177.275 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . 0.492 ' O ' ' HB3' ' A' ' 10' ' ' HIS . 58.8 m-85 -75.74 -17.6 59.85 Favored 'General case' 0 C--N 1.301 -1.509 0 CA-C-N 115.906 -0.588 . . . . 0.0 112.308 178.482 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . 0.438 ' O ' ' HB2' ' A' ' 11' ' ' TYR . 14.8 t-20 -76.95 -62.31 1.69 Allowed 'General case' 0 C--N 1.304 -1.375 0 CA-C-O 121.188 0.518 . . . . 0.0 109.741 174.891 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 25.8 tpp -78.83 -61.51 1.99 Allowed 'General case' 0 C--N 1.31 -1.144 0 N-CA-C 114.306 1.224 . . . . 0.0 114.306 -178.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -65.15 -42.23 96.58 Favored Glycine 0 C--O 1.241 0.568 0 C-N-CA 121.417 -0.42 . . . . 0.0 113.691 -172.483 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . 0.492 ' HB3' ' O ' ' A' ' 6' ' ' TYR . 78.4 t60 -67.99 -45.19 74.8 Favored 'General case' 0 C--N 1.311 -1.073 0 N-CA-C 110.387 -0.227 . . . . 0.0 110.387 179.723 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.438 ' HB2' ' O ' ' A' ' 7' ' ' ASN . 27.3 m-85 -66.93 -38.17 85.69 Favored 'General case' 0 C--O 1.197 -1.67 0 C-N-CA 120.308 -0.557 . . . . 0.0 111.825 177.496 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -56.3 -43.19 78.67 Favored 'General case' 0 CA--C 1.508 -0.669 0 O-C-N 123.219 0.324 . . . . 0.0 110.303 178.801 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . 0.472 ' O ' HG22 ' A' ' 17' ' ' ILE . . . -62.31 -48.62 81.18 Favored Glycine 0 N--CA 1.432 -1.568 0 CA-C-N 115.662 -0.699 . . . . 0.0 111.833 177.535 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.659 ' HE2' ' N ' ' A' ' 14' ' ' LYS . 0.6 OUTLIER -73.95 -37.3 64.58 Favored 'General case' 0 C--N 1.325 -0.475 0 C-N-CA 120.678 -0.409 . . . . 0.0 111.769 -175.583 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -69.28 -34.36 74.62 Favored 'General case' 0 C--O 1.207 -1.16 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.27 -178.431 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 24.5 m -75.31 -37.51 60.78 Favored 'General case' 0 C--N 1.303 -1.452 0 C-N-CA 119.929 -0.708 . . . . 0.0 111.058 179.75 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.472 HG22 ' O ' ' A' ' 13' ' ' GLY . 11.0 tt -77.91 -55.15 11.01 Favored 'Isoleucine or valine' 0 N--CA 1.437 -1.107 0 C-N-CA 118.361 -1.336 . . . . 0.0 112.254 176.871 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 54.1 m-85 -79.33 -62.4 1.7 Allowed 'General case' 0 C--N 1.315 -0.932 0 N-CA-C 113.505 0.928 . . . . 0.0 113.505 -177.6 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -55.67 -47.87 75.0 Favored Glycine 0 CA--C 1.505 -0.569 0 CA-C-N 115.562 -0.744 . . . . 0.0 113.338 -177.369 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 1.9 tp -67.35 -30.61 70.46 Favored 'General case' 0 C--N 1.307 -1.278 0 C-N-CA 121.018 -0.273 . . . . 0.0 111.013 179.629 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -66.94 -26.37 66.81 Favored 'General case' 0 CA--C 1.507 -0.682 0 CA-C-O 121.061 0.457 . . . . 0.0 109.997 178.174 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.531 ' O ' ' HB3' ' A' ' 26' ' ' LEU . . . -67.57 -31.97 72.41 Favored 'General case' 0 N--CA 1.437 -1.091 0 CA-C-N 116.073 -0.512 . . . . 0.0 109.841 177.086 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' TRP . . . . . 0.483 ' CE3' ' HA ' ' A' ' 23' ' ' TRP . 0.1 OUTLIER -90.83 -39.91 12.08 Favored 'General case' 0 N--CA 1.435 -1.211 0 C-N-CA 120.5 -0.48 . . . . 0.0 112.074 179.737 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -76.72 -60.93 2.14 Favored 'General case' 0 C--N 1.305 -1.326 0 CA-C-O 121.193 0.52 . . . . 0.0 112.396 178.652 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 7.3 mp -81.87 -31.56 31.5 Favored 'General case' 0 C--N 1.314 -0.972 0 N-CA-C 114.068 1.136 . . . . 0.0 114.068 -174.734 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.531 ' HB3' ' O ' ' A' ' 22' ' ' ALA . 29.2 tp -97.95 -17.51 19.17 Favored 'General case' 0 C--N 1.316 -0.87 0 N-CA-C 113.168 0.803 . . . . 0.0 113.168 -172.916 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.28 -2.433 0 N-CA-C 112.78 0.659 . . . . 0.0 112.78 -174.746 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 55.3 mtm180 . . . . . 0 C--O 1.242 0.674 0 N-CA-C 109.338 -0.616 . . . . 0.0 109.338 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 48.0 t-20 -158.92 122.44 3.82 Favored 'General case' 0 C--N 1.31 -1.122 0 N-CA-C 108.029 -1.1 . . . . 0.0 108.029 179.234 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 14.7 ttpt -94.62 97.85 10.4 Favored 'General case' 0 C--N 1.298 -1.64 0 N-CA-C 107.757 -1.201 . . . . 0.0 107.757 179.179 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 17.6 tp -143.85 159.72 42.04 Favored 'General case' 0 C--N 1.29 -2.009 0 CA-C-N 115.66 -0.7 . . . . 0.0 109.349 -172.383 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -62.16 -36.54 82.15 Favored 'General case' 0 C--O 1.218 -0.591 0 CA-C-O 121.464 0.649 . . . . 0.0 111.121 179.782 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . 0.617 ' O ' ' HB3' ' A' ' 10' ' ' HIS . 93.3 m-85 -78.2 -30.82 49.14 Favored 'General case' 0 C--N 1.303 -1.43 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.561 178.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . 0.429 ' O ' ' HB2' ' A' ' 11' ' ' TYR . 0.2 OUTLIER -76.18 -52.24 10.48 Favored 'General case' 0 C--N 1.294 -1.843 0 C-N-CA 119.586 -0.845 . . . . 0.0 109.586 -179.106 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . 0.4 ' CE ' ' HA ' ' A' ' 8' ' ' MET . 0.1 OUTLIER -78.22 -61.93 1.84 Allowed 'General case' 0 C--N 1.302 -1.461 0 C-N-CA 119.766 -0.774 . . . . 0.0 112.933 179.366 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -71.14 -44.33 54.12 Favored Glycine 0 N--CA 1.461 0.358 0 N-CA-C 115.045 0.778 . . . . 0.0 115.045 -173.196 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . 0.617 ' HB3' ' O ' ' A' ' 6' ' ' TYR . 81.2 t60 -66.13 -39.74 90.12 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.247 0.546 . . . . 0.0 109.623 -178.154 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.429 ' HB2' ' O ' ' A' ' 7' ' ' ASN . 24.3 m-85 -68.72 -37.13 79.25 Favored 'General case' 0 C--O 1.208 -1.101 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.652 175.189 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -56.13 -40.71 74.19 Favored 'General case' 0 CA--C 1.513 -0.45 0 O-C-N 123.549 0.531 . . . . 0.0 111.129 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -62.46 -43.45 99.01 Favored Glycine 0 N--CA 1.445 -0.762 0 C-N-CA 120.744 -0.741 . . . . 0.0 111.645 177.769 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 1.3 mptm? -74.65 -40.01 61.71 Favored 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 111.673 0.249 . . . . 0.0 111.673 -178.467 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -69.06 -30.17 68.45 Favored 'General case' 0 C--N 1.304 -1.401 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.674 -178.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 27.3 m -75.15 -38.03 61.13 Favored 'General case' 0 C--N 1.305 -1.36 0 C-N-CA 119.839 -0.744 . . . . 0.0 110.758 177.769 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 8.3 tp -78.32 -54.96 11.22 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.849 0 C-N-CA 118.2 -1.4 . . . . 0.0 111.945 177.031 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 35.0 m-85 -78.77 -54.41 6.12 Favored 'General case' 0 C--N 1.32 -0.687 0 N-CA-C 113.483 0.92 . . . . 0.0 113.483 -177.289 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -62.88 -51.41 55.84 Favored Glycine 0 CA--C 1.496 -1.136 0 CA-C-N 115.685 -0.689 . . . . 0.0 112.594 -176.087 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 3.8 tp -62.09 -30.53 71.06 Favored 'General case' 0 C--N 1.309 -1.156 0 O-C-N 123.681 0.283 . . . . 0.0 111.346 -179.48 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -61.75 -26.12 67.87 Favored 'General case' 0 C--O 1.214 -0.805 0 CA-C-O 120.756 0.312 . . . . 0.0 110.666 177.743 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.611 ' O ' ' HB3' ' A' ' 26' ' ' LEU . . . -69.32 -31.54 70.07 Favored 'General case' 0 N--CA 1.443 -0.781 0 CA-C-O 121.132 0.491 . . . . 0.0 110.272 178.13 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' TRP . . . . . 0.472 ' O ' ' HB3' ' A' ' 27' ' ' ALA . 0.1 OUTLIER -90.24 -39.17 12.95 Favored 'General case' 0 C--N 1.3 -1.567 0 C-N-CA 120.418 -0.513 . . . . 0.0 111.696 179.837 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -76.57 -60.78 2.2 Favored 'General case' 0 C--N 1.306 -1.309 0 CA-C-O 121.697 0.761 . . . . 0.0 112.632 178.703 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 97.3 mt -81.21 -36.46 30.03 Favored 'General case' 0 C--N 1.303 -1.446 0 N-CA-C 113.742 1.015 . . . . 0.0 113.742 -175.058 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.611 ' HB3' ' O ' ' A' ' 22' ' ' ALA . 31.0 tp -90.26 -17.12 28.01 Favored 'General case' 0 C--N 1.32 -0.69 0 N-CA-C 112.944 0.72 . . . . 0.0 112.944 -172.327 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . 0.472 ' HB3' ' O ' ' A' ' 23' ' ' TRP . . . . . . . . 0 C--N 1.285 -2.206 0 CA-C-O 118.211 -0.9 . . . . 0.0 111.361 -178.0 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . 0.524 ' N ' ' HD2' ' A' ' 1' ' ' ARG . 0.3 OUTLIER . . . . . 0 CA--C 1.494 -1.197 0 N-CA-C 106.859 -1.534 . . . . 0.0 106.859 . . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 15.0 m120 -129.85 100.79 5.6 Favored 'General case' 0 C--N 1.301 -1.516 0 C-N-CA 120.423 -0.511 . . . . 0.0 110.439 -174.596 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 13.9 ttpt -80.17 101.46 8.83 Favored 'General case' 0 C--N 1.296 -1.756 0 N-CA-C 106.964 -1.495 . . . . 0.0 106.964 173.72 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 54.3 tp -147.68 153.62 39.56 Favored 'General case' 0 C--N 1.284 -2.258 0 N-CA-C 108.048 -1.093 . . . . 0.0 108.048 -177.497 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -56.09 -47.1 78.66 Favored 'General case' 0 C--N 1.311 -1.091 0 O-C-N 124.011 0.819 . . . . 0.0 111.162 177.929 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . 0.615 ' O ' ' HB3' ' A' ' 10' ' ' HIS . 90.5 m-85 -68.67 -30.21 68.85 Favored 'General case' 0 C--N 1.298 -1.652 0 CA-C-N 115.567 -0.742 . . . . 0.0 112.802 -179.75 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 62.0 t30 -77.54 -58.06 3.48 Favored 'General case' 0 C--N 1.301 -1.543 0 C-N-CA 119.362 -0.935 . . . . 0.0 109.829 177.879 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . 0.454 ' HA ' ' CE ' ' A' ' 8' ' ' MET . 4.6 mmt -75.89 -60.67 2.22 Favored 'General case' 0 C--N 1.308 -1.228 0 N-CA-C 113.247 0.832 . . . . 0.0 113.247 -174.958 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -70.0 -42.88 67.22 Favored Glycine 0 N--CA 1.445 -0.734 0 C-N-CA 120.835 -0.698 . . . . 0.0 113.462 -174.419 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . 0.615 ' HB3' ' O ' ' A' ' 6' ' ' TYR . 48.5 t60 -67.33 -43.74 80.81 Favored 'General case' 0 CA--C 1.544 0.747 0 C-N-CA 120.645 -0.422 . . . . 0.0 111.807 -177.476 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 63.7 m-85 -73.3 -30.54 63.46 Favored 'General case' 0 N--CA 1.471 0.602 0 C-N-CA 120.445 -0.502 . . . . 0.0 112.1 177.168 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -56.13 -44.04 78.79 Favored 'General case' 0 CA--C 1.501 -0.917 0 O-C-N 123.233 0.333 . . . . 0.0 111.504 -177.635 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . 0.518 ' O ' HG22 ' A' ' 17' ' ' ILE . . . -64.21 -47.12 88.21 Favored Glycine 0 N--CA 1.435 -1.376 0 C-N-CA 120.148 -1.025 . . . . 0.0 111.74 178.631 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 13.4 mptt -74.84 -40.75 60.86 Favored 'General case' 0 C--N 1.321 -0.646 0 N-CA-C 113.02 0.748 . . . . 0.0 113.02 -172.825 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -70.08 -34.42 73.15 Favored 'General case' 0 C--N 1.306 -1.308 0 C-N-CA 120.875 -0.33 . . . . 0.0 111.081 -178.078 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 20.0 m -75.55 -39.6 57.98 Favored 'General case' 0 C--N 1.3 -1.549 0 C-N-CA 121.038 -0.265 . . . . 0.0 111.201 -179.36 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.518 HG22 ' O ' ' A' ' 13' ' ' GLY . 9.3 tp -77.79 -54.95 11.56 Favored 'Isoleucine or valine' 0 C--O 1.206 -1.211 0 C-N-CA 118.496 -1.282 . . . . 0.0 111.592 177.812 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 26.3 m-85 -78.68 -61.3 2.05 Favored 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 113.385 0.883 . . . . 0.0 113.385 -176.152 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -58.69 -52.69 51.6 Favored Glycine 0 CA--C 1.502 -0.759 0 CA-C-N 115.702 -0.681 . . . . 0.0 112.289 -176.168 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 5.8 mp -61.02 -30.35 70.25 Favored 'General case' 0 CA--C 1.5 -0.961 0 N-CA-C 113.636 0.976 . . . . 0.0 113.636 177.52 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -59.22 -26.1 64.58 Favored 'General case' 0 C--O 1.21 -1.025 0 C-N-CA 121.218 -0.193 . . . . 0.0 111.205 176.33 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.574 ' O ' ' HB3' ' A' ' 26' ' ' LEU . . . -74.05 -34.06 63.93 Favored 'General case' 0 C--N 1.313 -0.982 0 C-N-CA 120.257 -0.577 . . . . 0.0 110.959 179.142 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' TRP . . . . . 0.572 ' O ' ' HB3' ' A' ' 27' ' ' ALA . 0.1 OUTLIER -91.13 -40.61 11.49 Favored 'General case' 0 C--O 1.204 -1.335 0 C-N-CA 119.542 -0.863 . . . . 0.0 112.176 -179.969 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -76.31 -58.32 3.35 Favored 'General case' 0 C--N 1.304 -1.411 0 CA-C-O 121.328 0.585 . . . . 0.0 112.474 177.541 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 20.4 tp -82.33 -34.8 28.38 Favored 'General case' 0 C--N 1.314 -0.942 0 N-CA-C 113.816 1.043 . . . . 0.0 113.816 -172.812 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.574 ' HB3' ' O ' ' A' ' 22' ' ' ALA . 50.3 tp -91.39 -17.14 26.29 Favored 'General case' 0 C--N 1.314 -0.956 0 N-CA-C 112.103 0.408 . . . . 0.0 112.103 -174.484 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . 0.572 ' HB3' ' O ' ' A' ' 23' ' ' TRP . . . . . . . . 0 C--N 1.283 -2.286 0 C-N-CA 120.245 -0.582 . . . . 0.0 111.435 -178.765 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 96.9 mtt180 . . . . . 0 CA--C 1.5 -0.962 0 N-CA-C 108.597 -0.89 . . . . 0.0 108.597 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 3.7 p-10 -145.69 177.01 9.21 Favored 'General case' 0 C--N 1.298 -1.653 0 N-CA-C 107.65 -1.241 . . . . 0.0 107.65 175.65 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . 0.423 ' HG2' ' N ' ' A' ' 4' ' ' LEU . 25.5 ttpt -119.06 161.82 19.63 Favored 'General case' 0 C--N 1.289 -2.036 0 N-CA-C 107.745 -1.205 . . . . 0.0 107.745 179.192 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.423 ' N ' ' HG2' ' A' ' 3' ' ' LYS . 20.4 tp -163.47 158.54 21.09 Favored 'General case' 0 C--N 1.304 -1.38 0 N-CA-C 105.736 -1.949 . . . . 0.0 105.736 178.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -68.84 -39.2 80.08 Favored 'General case' 0 C--N 1.311 -1.089 0 CA-C-N 118.172 0.442 . . . . 0.0 111.187 -177.894 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . 0.503 ' O ' ' HB3' ' A' ' 10' ' ' HIS . 86.6 m-85 -75.67 -19.14 59.36 Favored 'General case' 0 C--N 1.308 -1.237 0 CA-C-O 121.298 0.57 . . . . 0.0 111.379 176.186 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . 0.44 ' O ' ' HB2' ' A' ' 11' ' ' TYR . 22.5 t-20 -76.27 -61.17 2.03 Favored 'General case' 0 C--N 1.295 -1.765 0 CA-C-O 121.508 0.67 . . . . 0.0 109.974 174.87 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -76.99 -61.16 2.07 Favored 'General case' 0 C--N 1.301 -1.518 0 CA-C-N 115.583 -0.735 . . . . 0.0 112.494 -175.292 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -67.63 -43.18 86.35 Favored Glycine 0 CA--C 1.503 -0.696 0 CA-C-N 115.956 -0.566 . . . . 0.0 113.945 -173.244 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . 0.503 ' HB3' ' O ' ' A' ' 6' ' ' TYR . 37.6 t60 -67.49 -44.52 78.3 Favored 'General case' 0 C--N 1.32 -0.675 0 N-CA-C 109.739 -0.467 . . . . 0.0 109.739 -178.01 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.44 ' HB2' ' O ' ' A' ' 7' ' ' ASN . 48.7 m-85 -69.67 -29.41 66.84 Favored 'General case' 0 CA--C 1.502 -0.879 0 N-CA-C 112.828 0.677 . . . . 0.0 112.828 178.303 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -59.24 -38.42 79.97 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.181 0.515 . . . . 0.0 109.982 176.324 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -72.66 -48.11 23.98 Favored Glycine 0 N--CA 1.435 -1.417 0 CA-C-N 115.621 -0.718 . . . . 0.0 111.566 177.064 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.443 ' HD2' ' CD2' ' A' ' 10' ' ' HIS . 6.6 mtpm? -65.48 -37.39 86.7 Favored 'General case' 0 C--N 1.317 -0.845 0 N-CA-C 113.905 1.076 . . . . 0.0 113.905 -175.545 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -72.71 -28.88 62.94 Favored 'General case' 0 C--N 1.305 -1.368 0 C-N-CA 120.857 -0.337 . . . . 0.0 110.458 178.427 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . 0.459 ' O ' ' HB2' ' A' ' 20' ' ' LEU . 34.0 m -75.69 -41.07 54.75 Favored 'General case' 0 N--CA 1.433 -1.307 0 CA-C-O 120.856 0.36 . . . . 0.0 110.794 178.138 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 7.3 tp -77.24 -55.6 10.21 Favored 'Isoleucine or valine' 0 C--O 1.209 -1.054 0 C-N-CA 119.274 -0.971 . . . . 0.0 111.634 178.663 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 40.3 m-85 -78.79 -61.16 2.1 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 113.495 0.924 . . . . 0.0 113.495 -177.461 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -56.68 -52.38 50.88 Favored Glycine 0 CA--C 1.503 -0.656 0 CA-C-N 115.393 -0.821 . . . . 0.0 112.4 -176.439 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.459 ' HB2' ' O ' ' A' ' 16' ' ' THR . 4.5 mp -62.08 -31.71 72.17 Favored 'General case' 0 C--O 1.204 -1.31 0 N-CA-C 113.646 0.98 . . . . 0.0 113.646 177.026 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.498 ' O ' ' HB2' ' A' ' 25' ' ' LEU . . . -62.87 -31.5 72.56 Favored 'General case' 0 C--O 1.211 -0.96 0 CA-C-N 118.337 0.517 . . . . 0.0 110.336 177.054 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.664 ' O ' ' HB3' ' A' ' 26' ' ' LEU . . . -72.64 -31.59 65.24 Favored 'General case' 0 C--N 1.303 -1.43 0 CA-C-O 120.979 0.419 . . . . 0.0 110.948 177.797 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' TRP . . . . . 0.478 ' O ' ' HB3' ' A' ' 27' ' ' ALA . 0.3 OUTLIER -89.78 -40.22 12.62 Favored 'General case' 0 C--O 1.191 -2.003 0 C-N-CA 118.833 -1.147 . . . . 0.0 111.632 -179.263 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -76.62 -52.99 8.64 Favored 'General case' 0 C--N 1.301 -1.542 0 N-CA-C 113.075 0.768 . . . . 0.0 113.075 178.488 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.498 ' HB2' ' O ' ' A' ' 21' ' ' ALA . 9.1 mp -81.86 -33.14 30.76 Favored 'General case' 0 C--N 1.318 -0.78 0 N-CA-C 114.397 1.258 . . . . 0.0 114.397 -176.247 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.664 ' HB3' ' O ' ' A' ' 22' ' ' ALA . 41.5 tp -95.76 -21.98 17.8 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 113.117 0.784 . . . . 0.0 113.117 -171.735 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . 0.478 ' HB3' ' O ' ' A' ' 23' ' ' TRP . . . . . . . . 0 C--N 1.282 -2.364 0 CA-C-O 118.364 -0.827 . . . . 0.0 111.608 -178.241 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 50.5 mtt180 . . . . . 0 CA--C 1.499 -0.993 0 N-CA-C 107.894 -1.15 . . . . 0.0 107.894 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 14.9 m120 -141.37 147.16 37.6 Favored 'General case' 0 CA--C 1.486 -1.516 0 CA-C-N 115.601 -0.727 . . . . 0.0 109.259 -175.081 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 19.2 ttpt -156.07 119.46 4.31 Favored 'General case' 0 N--CA 1.419 -2.021 0 N-CA-C 106.191 -1.781 . . . . 0.0 106.191 175.017 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 29.5 tp -153.17 153.45 32.77 Favored 'General case' 0 C--N 1.292 -1.924 0 N-CA-C 108.2 -1.037 . . . . 0.0 108.2 178.248 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -59.45 -38.76 81.57 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 121.598 0.713 . . . . 0.0 110.475 178.667 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . 0.494 ' HA ' ' HB2' ' A' ' 10' ' ' HIS . 61.7 m-85 -82.51 -26.31 32.64 Favored 'General case' 0 C--N 1.302 -1.493 0 CA-C-N 115.422 -0.808 . . . . 0.0 112.543 -179.873 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . 0.446 ' O ' ' HB2' ' A' ' 11' ' ' TYR . 10.1 m120 -75.32 -56.17 4.98 Favored 'General case' 0 C--N 1.308 -1.227 0 C-N-CA 120.358 -0.537 . . . . 0.0 110.22 178.385 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -76.92 -61.34 2.01 Favored 'General case' 0 C--N 1.299 -1.59 0 CA-C-N 116.003 -0.544 . . . . 0.0 112.023 -178.685 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -71.06 -44.1 55.4 Favored Glycine 0 CA--C 1.5 -0.893 0 CA-C-N 115.686 -0.688 . . . . 0.0 114.44 -171.194 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . 0.494 ' HB2' ' HA ' ' A' ' 6' ' ' TYR . 41.3 t60 -70.06 -39.16 75.83 Favored 'General case' 0 C--N 1.31 -1.136 0 C-N-CA 120.171 -0.611 . . . . 0.0 110.223 -176.118 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.446 ' HB2' ' O ' ' A' ' 7' ' ' ASN . 42.9 m-85 -68.44 -28.65 67.25 Favored 'General case' 0 CA--C 1.5 -0.952 0 N-CA-C 112.529 0.566 . . . . 0.0 112.529 175.665 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -58.46 -37.93 76.48 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 109.805 -0.442 . . . . 0.0 109.805 176.563 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -75.18 -46.34 16.37 Favored Glycine 0 N--CA 1.442 -0.936 0 N-CA-C 111.257 -0.737 . . . . 0.0 111.257 177.037 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 1.2 mptm? -61.57 -41.35 97.26 Favored 'General case' 0 CA--C 1.511 -0.537 0 N-CA-C 113.401 0.889 . . . . 0.0 113.401 -178.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -71.61 -27.46 63.13 Favored 'General case' 0 C--N 1.303 -1.415 0 CA-C-O 120.662 0.268 . . . . 0.0 110.559 179.45 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 60.3 m -75.88 -38.96 57.34 Favored 'General case' 0 C--N 1.299 -1.59 0 C-N-CA 120.051 -0.66 . . . . 0.0 111.272 176.678 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -77.82 -54.78 11.85 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.978 0 C-N-CA 118.732 -1.187 . . . . 0.0 110.322 177.403 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 41.5 m-85 -78.55 -57.78 3.59 Favored 'General case' 0 C--N 1.314 -0.94 0 N-CA-C 113.308 0.855 . . . . 0.0 113.308 -177.248 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -59.51 -51.57 58.31 Favored Glycine 0 CA--C 1.503 -0.716 0 CA-C-N 115.791 -0.641 . . . . 0.0 112.454 -176.289 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 2.1 tp -61.51 -30.55 70.7 Favored 'General case' 0 C--N 1.313 -1.013 0 CA-C-O 119.705 -0.188 . . . . 0.0 111.235 179.828 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.15 -30.76 71.26 Favored 'General case' 0 C--O 1.219 -0.532 0 CA-C-N 117.928 0.331 . . . . 0.0 110.836 177.845 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.638 ' O ' ' HB3' ' A' ' 26' ' ' LEU . . . -68.74 -31.72 70.99 Favored 'General case' 0 C--N 1.313 -1.0 0 CA-C-O 121.351 0.596 . . . . 0.0 110.129 178.719 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 0.5 OUTLIER -89.57 -40.07 12.86 Favored 'General case' 0 C--O 1.198 -1.647 0 C-N-CA 119.941 -0.703 . . . . 0.0 111.77 179.733 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -76.15 -58.51 3.24 Favored 'General case' 0 C--N 1.307 -1.276 0 CA-C-O 121.383 0.611 . . . . 0.0 112.48 179.876 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -81.79 -27.05 33.91 Favored 'General case' 0 C--N 1.313 -0.995 0 N-CA-C 114.957 1.466 . . . . 0.0 114.957 -175.042 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.638 ' HB3' ' O ' ' A' ' 22' ' ' ALA . 40.2 tp -98.57 -27.46 14.01 Favored 'General case' 0 C--N 1.315 -0.894 0 N-CA-C 112.353 0.501 . . . . 0.0 112.353 -175.23 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.287 -2.144 0 CA-C-O 118.583 -0.722 . . . . 0.0 112.256 -176.218 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 1.3 tmm_? . . . . . 0 N--CA 1.447 -0.603 0 N-CA-C 105.938 -1.875 . . . . 0.0 105.938 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 1.2 m-20 -122.07 161.08 23.68 Favored 'General case' 0 C--N 1.308 -1.203 0 N-CA-C 107.849 -1.167 . . . . 0.0 107.849 -173.431 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 14.9 ttpt -94.13 113.94 25.98 Favored 'General case' 0 C--N 1.299 -1.606 0 N-CA-C 107.727 -1.212 . . . . 0.0 107.727 175.941 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.44 ' HG ' ' H ' ' A' ' 6' ' ' TYR . 51.5 tp -133.04 145.53 50.89 Favored 'General case' 0 C--N 1.285 -2.196 0 N-CA-C 109.335 -0.617 . . . . 0.0 109.335 -178.848 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -61.28 -33.94 74.38 Favored 'General case' 0 C--O 1.208 -1.11 0 C-N-CA 123.27 0.628 . . . . 0.0 111.692 -179.228 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . 0.558 ' O ' ' HB3' ' A' ' 10' ' ' HIS . 89.5 m-85 -73.01 -30.93 64.13 Favored 'General case' 0 C--N 1.296 -1.72 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.349 177.919 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 10.3 m120 -76.55 -61.48 1.95 Allowed 'General case' 0 C--N 1.304 -1.387 0 CA-C-O 121.349 0.595 . . . . 0.0 110.395 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 26.5 tpp -77.89 -61.67 1.92 Allowed 'General case' 0 C--O 1.201 -1.461 0 N-CA-C 113.221 0.823 . . . . 0.0 113.221 -179.649 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -61.71 -50.11 69.47 Favored Glycine 0 N--CA 1.468 0.797 0 N-CA-C 114.117 0.407 . . . . 0.0 114.117 -173.008 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . 0.558 ' HB3' ' O ' ' A' ' 6' ' ' TYR . 21.6 t60 -62.25 -43.58 98.5 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 120.573 0.225 . . . . 0.0 110.838 -177.743 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 39.4 m-85 -73.27 -35.06 66.13 Favored 'General case' 0 C--O 1.208 -1.129 0 N-CA-C 113.096 0.776 . . . . 0.0 113.096 177.937 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -56.59 -37.38 70.54 Favored 'General case' 0 C--O 1.218 -0.555 0 CA-C-O 120.546 0.212 . . . . 0.0 110.784 179.843 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -66.18 -46.57 78.77 Favored Glycine 0 N--CA 1.44 -1.037 0 C-N-CA 120.827 -0.702 . . . . 0.0 111.718 177.303 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 13.4 mptt -74.71 -38.51 62.31 Favored 'General case' 0 C--N 1.317 -0.822 0 N-CA-C 112.523 0.564 . . . . 0.0 112.523 -176.736 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -67.61 -31.23 71.11 Favored 'General case' 0 C--N 1.31 -1.122 0 CA-C-N 116.498 -0.319 . . . . 0.0 110.989 179.288 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . 0.491 ' HA ' HD13 ' A' ' 20' ' ' LEU . 91.6 m -74.7 -39.08 62.16 Favored 'General case' 0 N--CA 1.429 -1.499 0 C-N-CA 120.932 -0.307 . . . . 0.0 111.154 178.216 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 8.6 tp -77.2 -54.16 13.38 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.245 0 C-N-CA 118.319 -1.352 . . . . 0.0 111.358 178.48 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 33.2 m-85 -78.42 -62.41 1.69 Allowed 'General case' 0 C--N 1.314 -0.954 0 N-CA-C 113.507 0.928 . . . . 0.0 113.507 -177.683 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -58.55 -51.3 59.61 Favored Glycine 0 CA--C 1.499 -0.947 0 CA-C-N 115.543 -0.753 . . . . 0.0 112.678 -175.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.491 HD13 ' HA ' ' A' ' 16' ' ' THR . 6.8 mp -62.33 -30.55 71.24 Favored 'General case' 0 C--O 1.197 -1.665 0 N-CA-C 113.406 0.891 . . . . 0.0 113.406 176.409 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.446 ' O ' ' HB2' ' A' ' 25' ' ' LEU . . . -64.36 -35.58 81.33 Favored 'General case' 0 C--N 1.302 -1.478 0 C-N-CA 119.647 -0.821 . . . . 0.0 110.051 174.803 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.545 ' O ' ' HB3' ' A' ' 26' ' ' LEU . . . -74.78 -32.55 62.05 Favored 'General case' 0 C--N 1.306 -1.294 0 CA-C-O 121.437 0.637 . . . . 0.0 110.535 -179.681 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' TRP . . . . . 0.436 ' O ' ' HB3' ' A' ' 27' ' ' ALA . 0.5 OUTLIER -89.6 -49.82 6.44 Favored 'General case' 0 C--N 1.295 -1.793 0 N-CA-C 113.55 0.944 . . . . 0.0 113.55 -177.77 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -76.34 -52.24 10.33 Favored 'General case' 0 C--N 1.293 -1.87 0 CA-C-O 121.385 0.612 . . . . 0.0 111.532 -178.552 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.446 ' HB2' ' O ' ' A' ' 21' ' ' ALA . 98.6 mt -81.89 -34.82 29.79 Favored 'General case' 0 C--N 1.317 -0.814 0 N-CA-C 114.593 1.331 . . . . 0.0 114.593 -175.263 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.545 ' HB3' ' O ' ' A' ' 22' ' ' ALA . 40.8 tp -97.98 -22.49 16.26 Favored 'General case' 0 C--N 1.311 -1.067 0 N-CA-C 113.326 0.861 . . . . 0.0 113.326 -172.455 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . 0.436 ' HB3' ' O ' ' A' ' 23' ' ' TRP . . . . . . . . 0 C--N 1.279 -2.476 0 CA-C-O 118.965 -0.54 . . . . 0.0 111.779 -175.688 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 39.4 mmt180 . . . . . 0 CA--C 1.498 -1.049 0 N-CA-C 108.795 -0.817 . . . . 0.0 108.795 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 28.8 t-20 -74.23 108.31 6.94 Favored 'General case' 0 C--N 1.311 -1.068 0 N-CA-C 109.212 -0.662 . . . . 0.0 109.212 177.341 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -132.35 121.39 23.43 Favored 'General case' 0 N--CA 1.415 -2.214 0 N-CA-C 106.023 -1.843 . . . . 0.0 106.023 178.562 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 17.7 tp -164.85 162.77 21.08 Favored 'General case' 0 C--N 1.302 -1.46 0 N-CA-C 107.78 -1.193 . . . . 0.0 107.78 -171.662 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -58.45 -39.13 79.02 Favored 'General case' 0 C--N 1.309 -1.155 0 C-N-CA 123.215 0.606 . . . . 0.0 110.069 176.628 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . 0.562 ' O ' ' HB3' ' A' ' 10' ' ' HIS . 70.0 m-85 -78.4 -14.0 59.59 Favored 'General case' 0 C--N 1.305 -1.33 0 CA-C-N 115.443 -0.798 . . . . 0.0 112.14 178.308 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 23.1 t-20 -76.57 -61.35 1.99 Allowed 'General case' 0 C--N 1.31 -1.142 0 N-CA-C 108.623 -0.88 . . . . 0.0 108.623 175.511 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 32.5 tpp -77.56 -58.79 3.08 Favored 'General case' 0 C--O 1.208 -1.125 0 N-CA-C 113.299 0.851 . . . . 0.0 113.299 -179.557 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -61.69 -47.67 88.97 Favored Glycine 0 C--O 1.239 0.438 0 O-C-N 123.192 0.308 . . . . 0.0 113.761 -172.695 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . 0.562 ' HB3' ' O ' ' A' ' 6' ' ' TYR . 39.9 t60 -63.97 -40.95 97.56 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-O 121.025 0.44 . . . . 0.0 110.767 -178.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 22.4 m-85 -73.47 -32.22 64.2 Favored 'General case' 0 C--O 1.2 -1.531 0 N-CA-C 112.823 0.675 . . . . 0.0 112.823 176.722 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -55.77 -44.9 78.15 Favored 'General case' 0 C--O 1.216 -0.67 0 C-N-CA 122.625 0.37 . . . . 0.0 111.396 -176.914 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -68.56 -37.41 85.14 Favored Glycine 0 C--N 1.313 -0.729 0 C-N-CA 120.332 -0.937 . . . . 0.0 112.202 179.396 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.454 ' HD3' ' O ' ' A' ' 10' ' ' HIS . 13.5 mptt -76.21 -30.28 57.93 Favored 'General case' 0 C--N 1.314 -0.974 0 CA-C-O 121.161 0.505 . . . . 0.0 111.725 -179.096 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -70.28 -30.63 67.7 Favored 'General case' 0 C--N 1.304 -1.41 0 CA-C-N 115.929 -0.578 . . . . 0.0 111.094 179.482 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 8.0 m -72.31 -36.31 68.87 Favored 'General case' 0 C--N 1.303 -1.413 0 C-N-CA 120.268 -0.573 . . . . 0.0 110.318 177.883 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 8.2 tp -77.84 -54.48 12.39 Favored 'Isoleucine or valine' 0 C--O 1.21 -0.98 0 C-N-CA 118.861 -1.136 . . . . 0.0 111.292 176.8 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 41.1 m-85 -78.24 -62.25 1.74 Allowed 'General case' 0 C--N 1.32 -0.7 0 N-CA-C 113.965 1.098 . . . . 0.0 113.965 -178.131 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -58.03 -50.01 69.95 Favored Glycine 0 CA--C 1.501 -0.804 0 CA-C-N 115.816 -0.629 . . . . 0.0 112.9 -175.598 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 3.7 tp -64.24 -29.95 71.02 Favored 'General case' 0 N--CA 1.434 -1.255 0 CA-C-N 115.313 -0.444 . . . . 0.0 111.445 -178.836 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -58.34 -26.12 62.74 Favored 'General case' 0 C--O 1.214 -0.8 0 N-CA-C 111.744 0.275 . . . . 0.0 111.744 179.523 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.554 ' O ' ' HB3' ' A' ' 26' ' ' LEU . . . -71.68 -33.32 68.73 Favored 'General case' 0 C--O 1.212 -0.879 0 CA-C-O 121.123 0.487 . . . . 0.0 110.217 -179.554 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 0.6 OUTLIER -90.86 -36.54 14.13 Favored 'General case' 0 C--N 1.305 -1.368 0 C-N-CA 120.174 -0.61 . . . . 0.0 112.171 178.571 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -76.36 -59.81 2.61 Favored 'General case' 0 C--N 1.309 -1.154 0 N-CA-C 112.407 0.521 . . . . 0.0 112.407 179.505 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 8.8 mp -81.95 -34.95 29.55 Favored 'General case' 0 C--N 1.311 -1.072 0 N-CA-C 114.162 1.171 . . . . 0.0 114.162 -175.636 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.554 ' HB3' ' O ' ' A' ' 22' ' ' ALA . 49.8 tp -93.4 -22.06 19.15 Favored 'General case' 0 C--N 1.318 -0.772 0 N-CA-C 113.365 0.876 . . . . 0.0 113.365 -172.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.279 -2.473 0 CA-C-O 118.517 -0.754 . . . . 0.0 111.961 -176.113 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 49.7 mtm180 . . . . . 0 CA--C 1.498 -1.038 0 N-CA-C 108.221 -1.029 . . . . 0.0 108.221 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 3.7 t-20 70.7 -71.95 0.12 Allowed 'General case' 0 N--CA 1.478 0.94 0 C-N-CA 124.596 1.158 . . . . 0.0 110.989 -178.931 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -113.95 147.96 37.67 Favored 'General case' 0 C--N 1.286 -2.158 0 N-CA-C 108.227 -1.027 . . . . 0.0 108.227 -179.908 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 19.6 tp -142.45 147.26 35.83 Favored 'General case' 0 C--N 1.301 -1.515 0 N-CA-C 106.084 -1.821 . . . . 0.0 106.084 175.725 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -58.12 -41.93 84.68 Favored 'General case' 0 C--N 1.316 -0.868 0 CA-C-O 121.674 0.749 . . . . 0.0 112.032 -176.832 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . 0.533 ' O ' ' HB3' ' A' ' 10' ' ' HIS . 97.0 m-85 -77.18 -28.9 54.14 Favored 'General case' 0 C--N 1.296 -1.737 0 CA-C-N 115.44 -0.8 . . . . 0.0 111.631 -179.723 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 3.0 m-20 -76.11 -49.62 16.9 Favored 'General case' 0 C--N 1.293 -1.876 0 C-N-CA 119.995 -0.682 . . . . 0.0 110.812 -179.617 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -77.38 -62.24 1.72 Allowed 'General case' 0 C--N 1.304 -1.413 0 CA-C-N 116.035 -0.53 . . . . 0.0 112.305 179.662 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -73.2 -41.41 46.91 Favored Glycine 0 N--CA 1.445 -0.702 0 N-CA-C 114.984 0.754 . . . . 0.0 114.984 -172.728 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . 0.533 ' HB3' ' O ' ' A' ' 6' ' ' TYR . 56.3 t60 -70.87 -39.12 73.07 Favored 'General case' 0 C--N 1.317 -0.84 0 C-N-CA 119.779 -0.769 . . . . 0.0 110.599 -176.929 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 54.1 m-85 -70.42 -31.54 68.79 Favored 'General case' 0 CA--C 1.501 -0.919 0 C-N-CA 120.734 -0.386 . . . . 0.0 112.001 175.248 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -59.26 -33.32 70.9 Favored 'General case' 0 C--O 1.217 -0.612 0 CA-C-O 121.042 0.448 . . . . 0.0 110.517 178.209 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -73.62 -49.39 14.58 Favored Glycine 0 N--CA 1.435 -1.393 0 C-N-CA 120.322 -0.942 . . . . 0.0 111.203 176.271 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 1.2 mptm? -68.28 -39.61 82.09 Favored 'General case' 0 CA--C 1.506 -0.726 0 N-CA-C 113.724 1.009 . . . . 0.0 113.724 -175.816 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -70.32 -30.08 66.96 Favored 'General case' 0 C--N 1.308 -1.198 0 C-N-CA 120.837 -0.345 . . . . 0.0 110.808 -179.387 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 21.1 m -76.09 -36.2 59.02 Favored 'General case' 0 C--N 1.307 -1.245 0 C-N-CA 119.825 -0.75 . . . . 0.0 110.927 178.336 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 7.8 tp -78.16 -55.47 10.05 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.859 0 C-N-CA 118.518 -1.273 . . . . 0.0 112.375 176.698 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 27.5 m-85 -78.78 -62.53 1.66 Allowed 'General case' 0 C--N 1.321 -0.649 0 N-CA-C 112.917 0.71 . . . . 0.0 112.917 -177.628 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -54.77 -50.18 59.0 Favored Glycine 0 CA--C 1.5 -0.898 0 CA-C-N 115.77 -0.65 . . . . 0.0 113.554 -178.019 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 4.1 tp -64.71 -30.83 71.85 Favored 'General case' 0 C--N 1.31 -1.126 0 C-N-CA 120.893 -0.323 . . . . 0.0 111.662 -179.693 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.46 -25.9 68.23 Favored 'General case' 0 C--O 1.218 -0.603 0 CA-C-O 120.571 0.224 . . . . 0.0 110.77 178.484 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.585 ' O ' ' HB3' ' A' ' 26' ' ' LEU . . . -69.63 -31.79 70.1 Favored 'General case' 0 C--O 1.21 -1.022 0 CA-C-O 121.024 0.44 . . . . 0.0 110.211 177.577 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' TRP . . . . . 0.423 ' O ' ' HB3' ' A' ' 27' ' ' ALA . 0.2 OUTLIER -90.45 -40.7 11.88 Favored 'General case' 0 N--CA 1.43 -1.442 0 C-N-CA 119.661 -0.816 . . . . 0.0 111.518 -179.934 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -75.76 -60.13 2.45 Favored 'General case' 0 C--N 1.301 -1.505 0 CA-C-O 121.29 0.566 . . . . 0.0 111.963 179.755 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -81.81 -32.83 31.08 Favored 'General case' 0 C--N 1.309 -1.173 0 N-CA-C 114.49 1.293 . . . . 0.0 114.49 -174.743 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.585 ' HB3' ' O ' ' A' ' 22' ' ' ALA . 35.8 tp -93.35 -17.68 23.27 Favored 'General case' 0 C--N 1.32 -0.706 0 N-CA-C 112.89 0.7 . . . . 0.0 112.89 -173.491 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . 0.423 ' HB3' ' O ' ' A' ' 23' ' ' TRP . . . . . . . . 0 C--N 1.284 -2.246 0 CA-C-O 119.073 -0.489 . . . . 0.0 111.034 -178.028 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 38.8 ttp180 . . . . . 0 C--O 1.239 0.552 0 CA-C-O 120.865 0.364 . . . . 0.0 110.472 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 46.5 t-20 -84.85 94.52 8.75 Favored 'General case' 0 C--N 1.313 -0.987 0 CA-C-O 122.101 0.953 . . . . 0.0 109.361 -177.287 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 18.7 ptmt -125.12 -177.76 3.97 Favored 'General case' 0 C--N 1.288 -2.108 0 CA-C-N 114.135 -1.393 . . . . 0.0 109.73 -176.817 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 19.7 tp -166.12 161.88 17.38 Favored 'General case' 0 C--N 1.296 -1.749 0 N-CA-C 104.227 -2.509 . . . . 0.0 104.227 177.74 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -63.71 -31.56 72.77 Favored 'General case' 0 C--N 1.304 -1.381 0 CA-C-O 121.776 0.798 . . . . 0.0 110.818 179.537 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . 0.568 ' O ' ' HB3' ' A' ' 10' ' ' HIS . 85.5 m-85 -85.15 -19.98 30.95 Favored 'General case' 0 C--N 1.307 -1.277 0 CA-C-N 115.527 -0.761 . . . . 0.0 111.548 177.331 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 22.7 t-20 -75.95 -60.22 2.42 Favored 'General case' 0 C--N 1.298 -1.665 0 CA-C-N 115.955 -0.566 . . . . 0.0 109.888 177.722 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . 0.486 ' HA ' ' CE ' ' A' ' 8' ' ' MET . 1.7 mmt -77.29 -61.02 2.12 Favored 'General case' 0 C--N 1.303 -1.416 0 N-CA-C 113.756 1.021 . . . . 0.0 113.756 179.788 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -65.29 -49.46 61.3 Favored Glycine 0 C--N 1.318 -0.457 0 N-CA-C 114.528 0.571 . . . . 0.0 114.528 -174.161 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . 0.568 ' HB3' ' O ' ' A' ' 6' ' ' TYR . 76.3 t60 -64.29 -42.1 96.55 Favored 'General case' 0 C--N 1.314 -0.965 0 CA-C-O 120.824 0.345 . . . . 0.0 111.054 -177.478 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 32.9 m-85 -68.04 -35.53 78.4 Favored 'General case' 0 C--O 1.211 -0.938 0 C-N-CA 120.777 -0.369 . . . . 0.0 111.994 175.838 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -56.76 -41.59 77.85 Favored 'General case' 0 N--CA 1.468 0.452 0 CA-C-O 120.921 0.391 . . . . 0.0 110.553 179.021 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -64.95 -44.97 93.78 Favored Glycine 0 N--CA 1.437 -1.282 0 CA-C-N 115.646 -0.707 . . . . 0.0 112.526 178.562 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 1.5 mptm? -75.16 -37.95 61.1 Favored 'General case' 0 CA--C 1.503 -0.845 0 N-CA-C 112.526 0.565 . . . . 0.0 112.526 -176.708 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -67.6 -31.09 70.88 Favored 'General case' 0 C--N 1.31 -1.132 0 CA-C-N 116.54 -0.3 . . . . 0.0 111.586 -178.222 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 27.8 m -75.99 -38.96 56.83 Favored 'General case' 0 C--N 1.304 -1.391 0 C-N-CA 119.506 -0.878 . . . . 0.0 111.407 178.145 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 11.5 tt -77.62 -55.23 10.98 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.852 0 C-N-CA 118.65 -1.22 . . . . 0.0 111.748 178.705 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 41.1 m-85 -79.71 -62.4 1.7 Allowed 'General case' 0 C--N 1.319 -0.728 0 N-CA-C 113.465 0.913 . . . . 0.0 113.465 -178.526 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -54.51 -46.8 72.38 Favored Glycine 0 CA--C 1.501 -0.805 0 CA-C-N 115.383 -0.826 . . . . 0.0 113.637 -177.331 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 2.5 tp -66.33 -31.93 73.02 Favored 'General case' 0 N--CA 1.433 -1.295 0 C-N-CA 120.986 -0.286 . . . . 0.0 111.055 179.022 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -66.18 -28.58 68.87 Favored 'General case' 0 C--O 1.216 -0.702 0 CA-C-O 121.212 0.53 . . . . 0.0 109.973 177.371 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.594 ' O ' ' HB3' ' A' ' 26' ' ' LEU . . . -71.13 -31.26 67.52 Favored 'General case' 0 C--N 1.311 -1.108 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.174 176.557 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' TRP . . . . . 0.52 ' O ' ' HB3' ' A' ' 27' ' ' ALA . 0.2 OUTLIER -89.26 -43.16 11.17 Favored 'General case' 0 C--N 1.299 -1.62 0 N-CA-C 112.258 0.466 . . . . 0.0 112.258 -178.677 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -77.09 -60.57 2.31 Favored 'General case' 0 C--N 1.297 -1.7 0 CA-C-O 121.422 0.63 . . . . 0.0 111.858 178.154 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 86.3 mt -81.6 -24.35 36.51 Favored 'General case' 0 C--N 1.314 -0.973 0 N-CA-C 114.753 1.39 . . . . 0.0 114.753 -172.621 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.594 ' HB3' ' O ' ' A' ' 22' ' ' ALA . 47.4 tp -101.85 -18.11 15.88 Favored 'General case' 0 C--N 1.317 -0.825 0 CA-C-O 121.072 0.463 . . . . 0.0 112.138 -176.276 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . 0.52 ' HB3' ' O ' ' A' ' 23' ' ' TRP . . . . . . . . 0 C--N 1.291 -1.944 0 CA-C-O 118.217 -0.897 . . . . 0.0 111.222 -177.831 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 67.3 mtm180 . . . . . 0 CA--C 1.497 -1.08 0 N-CA-C 107.501 -1.296 . . . . 0.0 107.501 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 4.3 t-20 -172.7 -35.56 0.01 OUTLIER 'General case' 0 N--CA 1.476 0.862 0 CA-C-O 121.561 0.696 . . . . 0.0 110.502 -178.205 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . 0.473 ' HG2' ' N ' ' A' ' 4' ' ' LEU . 23.5 ttpt -87.07 158.39 19.22 Favored 'General case' 0 C--N 1.297 -1.682 0 CA-C-N 115.324 -0.853 . . . . 0.0 110.679 -175.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.531 ' HB3' ' OD1' ' A' ' 7' ' ' ASN . 44.8 tp -163.16 166.01 23.87 Favored 'General case' 0 C--N 1.304 -1.395 0 N-CA-C 104.959 -2.237 . . . . 0.0 104.959 175.833 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -56.15 -38.85 71.41 Favored 'General case' 0 C--N 1.31 -1.122 0 O-C-N 123.997 0.811 . . . . 0.0 111.693 178.937 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . 0.504 ' O ' ' HB3' ' A' ' 10' ' ' HIS . 94.1 m-85 -74.19 -29.55 61.81 Favored 'General case' 0 C--N 1.308 -1.233 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.821 178.656 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . 0.531 ' OD1' ' HB3' ' A' ' 4' ' ' LEU . 14.3 m120 -71.21 -60.68 2.1 Favored 'General case' 0 C--N 1.299 -1.61 0 CA-C-N 116.398 -0.364 . . . . 0.0 110.709 -178.698 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 26.3 tpp -78.63 -61.58 1.96 Allowed 'General case' 0 C--N 1.301 -1.521 0 N-CA-C 113.45 0.907 . . . . 0.0 113.45 178.001 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -64.7 -47.91 78.26 Favored Glycine 0 N--CA 1.459 0.207 0 CA-C-N 115.896 -0.593 . . . . 0.0 114.496 -172.059 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . 0.504 ' HB3' ' O ' ' A' ' 6' ' ' TYR . 78.0 t60 -67.38 -43.4 81.47 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 120.866 0.365 . . . . 0.0 110.31 -178.527 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.521 ' HB2' ' O ' ' A' ' 7' ' ' ASN . 24.9 m-85 -67.99 -28.84 67.77 Favored 'General case' 0 CA--C 1.491 -1.299 0 N-CA-C 113.081 0.771 . . . . 0.0 113.081 177.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -56.48 -37.64 70.62 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 120.867 0.365 . . . . 0.0 110.474 178.924 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -70.34 -45.78 52.95 Favored Glycine 0 N--CA 1.438 -1.175 0 C-N-CA 120.882 -0.675 . . . . 0.0 111.493 177.66 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.41 ' HD2' ' N ' ' A' ' 14' ' ' LYS . 0.5 OUTLIER -70.19 -32.81 70.91 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 112.126 0.417 . . . . 0.0 112.126 -178.38 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -70.55 -28.07 64.63 Favored 'General case' 0 C--O 1.203 -1.363 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.765 178.607 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . 0.489 ' O ' ' HB2' ' A' ' 20' ' ' LEU . 28.0 m -74.87 -37.9 62.06 Favored 'General case' 0 C--N 1.309 -1.171 0 C-N-CA 120.386 -0.525 . . . . 0.0 109.693 177.333 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 7.7 tt -78.17 -56.36 7.76 Favored 'Isoleucine or valine' 0 C--O 1.207 -1.135 0 C-N-CA 118.302 -1.359 . . . . 0.0 111.85 177.17 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 52.2 m-85 -79.03 -53.27 7.19 Favored 'General case' 0 C--N 1.318 -0.763 0 N-CA-C 113.601 0.963 . . . . 0.0 113.601 -176.302 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -61.61 -52.61 49.81 Favored Glycine 0 CA--C 1.5 -0.87 0 CA-C-N 115.516 -0.765 . . . . 0.0 111.428 -177.224 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.489 ' HB2' ' O ' ' A' ' 16' ' ' THR . 2.5 mp -61.74 -30.85 71.05 Favored 'General case' 0 C--N 1.315 -0.912 0 N-CA-C 113.056 0.762 . . . . 0.0 113.056 177.575 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -59.44 -26.19 64.99 Favored 'General case' 0 C--O 1.214 -0.782 0 CA-C-O 120.527 0.203 . . . . 0.0 110.969 175.909 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.652 ' O ' ' HB3' ' A' ' 26' ' ' LEU . . . -70.86 -31.73 68.52 Favored 'General case' 0 C--O 1.212 -0.914 0 CA-C-O 120.811 0.339 . . . . 0.0 111.17 177.014 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' TRP . . . . . 0.418 ' O ' ' HB3' ' A' ' 27' ' ' ALA . 0.8 OUTLIER -90.61 -40.79 11.72 Favored 'General case' 0 C--N 1.306 -1.283 0 C-N-CA 119.567 -0.853 . . . . 0.0 111.103 -179.693 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -75.6 -60.62 2.23 Favored 'General case' 0 C--N 1.308 -1.213 0 N-CA-C 112.6 0.593 . . . . 0.0 112.6 178.166 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 7.7 mp -82.18 -24.99 34.66 Favored 'General case' 0 C--N 1.312 -1.057 0 N-CA-C 114.923 1.453 . . . . 0.0 114.923 -173.863 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.652 ' HB3' ' O ' ' A' ' 22' ' ' ALA . 16.1 tp -101.33 -24.33 14.23 Favored 'General case' 0 C--N 1.318 -0.786 0 N-CA-C 113.013 0.746 . . . . 0.0 113.013 -173.062 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . 0.418 ' HB3' ' O ' ' A' ' 23' ' ' TRP . . . . . . . . 0 C--N 1.275 -2.665 0 CA-C-N 115.65 -0.704 . . . . 0.0 112.474 -172.352 . . . . . . . . 1 1 . 1 stop_ save_