data_1pv0_residue save_MolProbity _Software.Sf_category software _Software.Sf_framecode MolProbity _Software.Entry_ID ? _Software.ID 1 _Software.Name MolProbity _Software.Version 4.0 _Software.Details . save_ save_CYRANGE _Software.Sf_category software _Software.Sf_framecode CYRANGE _Software.Entry_ID ? _Software.ID 2 _Software.Name CYRANGE _Software.Version 2.0 _Software.Details . save_ save_Structure_validation_residue _Structure_validation_residue.Sf_category structure_validation _Structure_validation_residue.Sf_framecode Structure_validation_residue _Structure_validation_residue.Entry_ID ? _Structure_validation_residue.List_ID 1 _Structure_validation_residue.PDB_accession_code 1pv0 _Structure_validation_residue.Date_analyzed 2016-10-06 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 ' 7' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 . . . . . 0 N--CA 1.454 -0.249 0 CA-C-O 120.702 0.287 . . . . 0.0 110.472 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 4.7 mp -81.0 -40.17 24.71 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.543 179.215 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 23.7 tp -62.78 -42.75 99.84 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.224 0.535 . . . . 0.0 109.68 179.005 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.459 ' CG2' ' CZ ' ' A' ' 14' ' ' PHE . 32.0 mt -74.51 -34.16 34.82 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.554 0 CA-C-N 115.605 -0.725 . . . . 0.0 109.797 178.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 8.6 mm-40 -62.5 -28.8 70.09 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.865 -0.607 . . . . 0.0 109.831 178.327 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 1.3 t -73.16 -46.53 50.35 Favored 'General case' 0 N--CA 1.455 -0.219 0 N-CA-C 109.435 -0.58 . . . . 0.0 109.435 179.003 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . 0.421 ' CE1' ' HB2' ' A' ' 30' ' ' GLU . 74.6 t80 -63.65 -40.11 96.04 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.778 -0.646 . . . . 0.0 109.929 178.778 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . 0.459 ' CZ ' ' CG2' ' A' ' 10' ' ' ILE . 5.6 m-30 -70.58 -47.6 59.4 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.543 -0.753 . . . . 0.0 110.438 179.783 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 36.0 mtmt -61.37 -44.58 96.93 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.586 179.499 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -60.25 -37.27 79.86 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.85 -0.614 . . . . 0.0 111.771 -179.483 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 68.2 p -68.24 -32.48 72.69 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.886 0.374 . . . . 0.0 110.546 179.865 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -75.5 -44.26 44.73 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.45 -179.908 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 3.5 ptt? -84.39 -14.68 48.74 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 112.177 0.436 . . . . 0.0 112.177 -179.491 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 10.3 m-80 75.95 38.15 0.36 Allowed 'General case' 0 N--CA 1.465 0.3 0 CA-C-O 121.098 0.475 . . . . 0.0 110.142 -179.019 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 3.3 tt -57.6 156.13 8.76 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.615 -0.72 . . . . 0.0 110.516 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 9.8 t-20 -42.8 138.69 1.88 Allowed 'General case' 0 N--CA 1.47 0.529 0 N-CA-C 112.221 0.452 . . . . 0.0 112.221 -179.619 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 7.5 ttm180 -58.15 -28.92 65.15 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.88 -0.6 . . . . 0.0 111.609 -179.502 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -64.49 -38.85 92.45 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.567 -0.288 . . . . 0.0 111.055 -179.709 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . 0.4 ' CD2' HD13 ' A' ' 29' ' ' ILE . 3.7 t80 -73.83 -42.5 60.79 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 109.395 -0.595 . . . . 0.0 109.395 179.088 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 69.4 mt -60.41 -43.41 93.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 115.427 -0.806 . . . . 0.0 110.01 178.823 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -75.02 -34.7 61.93 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.258 179.536 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -65.33 -47.59 75.98 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.827 -0.624 . . . . 0.0 109.997 179.483 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . 0.4 HD13 ' CD2' ' A' ' 25' ' ' PHE . 9.8 mt -67.85 -31.98 54.5 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.085 179.376 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . 0.421 ' HB2' ' CE1' ' A' ' 13' ' ' TYR . 1.4 tm-20 -76.71 -33.23 58.2 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.311 179.196 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -67.59 -30.05 69.56 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.976 -0.556 . . . . 0.0 111.056 179.825 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 2.5 tp10 -80.26 -45.32 18.14 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 109.459 -0.571 . . . . 0.0 109.459 179.167 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 51.1 mt -64.58 -31.93 55.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-N 115.319 -0.855 . . . . 0.0 109.692 178.565 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 7.1 mmtt -70.34 -47.95 58.66 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.254 179.464 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 3.1 ttm-85 -69.54 -23.09 63.54 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.608 178.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 16.5 mtp180 -83.45 6.37 20.47 Favored 'General case' 0 CA--C 1.535 0.366 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.979 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 5.0 t 61.02 34.06 19.45 Favored 'General case' 0 C--O 1.229 0.026 0 CA-C-O 121.076 0.465 . . . . 0.0 110.478 -179.721 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 8.1 tp -123.02 26.04 8.28 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.667 -0.697 . . . . 0.0 110.755 -179.579 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -71.03 -7.67 62.98 Favored Glycine 0 C--N 1.336 0.539 0 C-N-CA 120.94 -0.648 . . . . 0.0 112.835 179.687 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -82.79 -31.47 28.21 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 117.256 0.528 . . . . 0.0 109.641 178.784 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 6.5 tp . . . . . 0 N--CA 1.453 -0.279 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.039 179.05 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.454 -0.228 0 CA-C-O 120.935 0.398 . . . . 0.0 110.021 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -80.72 -33.61 35.11 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.434 179.141 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 18.2 tp -74.04 -47.07 39.3 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.532 179.658 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.457 ' CG2' ' CZ ' ' A' ' 14' ' ' PHE . 51.7 mt -68.38 -35.07 69.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.521 179.901 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 15.5 mt-10 -62.04 -28.41 69.57 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.118 178.658 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 1.1 t -73.19 -45.28 57.25 Favored 'General case' 0 CA--C 1.52 -0.183 0 N-CA-C 109.708 -0.478 . . . . 0.0 109.708 179.285 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 71.4 t80 -64.67 -38.0 89.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.842 -0.617 . . . . 0.0 109.807 178.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . 0.457 ' CZ ' ' CG2' ' A' ' 10' ' ' ILE . 13.2 m-30 -73.54 -45.57 52.78 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.519 -0.764 . . . . 0.0 110.516 179.693 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 6.6 mmtt -65.29 -44.98 86.24 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.583 179.48 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -64.32 -35.98 82.62 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.667 -179.653 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 20.4 p -67.34 -32.59 73.64 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.991 0.424 . . . . 0.0 110.51 179.72 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -75.82 -47.12 26.99 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.486 -179.742 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 3.6 ptt? -81.4 -14.04 57.61 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.195 -0.457 . . . . 0.0 112.175 -179.555 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 22.2 m-20 74.67 38.15 0.5 Allowed 'General case' 0 N--CA 1.463 0.191 0 CA-C-O 121.14 0.495 . . . . 0.0 110.012 -179.076 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.409 HD22 ' CD2' ' A' ' 25' ' ' PHE . 3.2 tt -55.85 157.91 4.04 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.591 -0.731 . . . . 0.0 110.523 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 47.7 t30 -41.66 133.81 2.6 Favored 'General case' 0 N--CA 1.471 0.622 0 N-CA-C 112.141 0.423 . . . . 0.0 112.141 -179.774 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -54.56 -29.03 49.88 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.86 -179.326 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -66.15 -36.16 82.38 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.765 0.317 . . . . 0.0 110.917 -179.796 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . 0.428 ' CE2' HD11 ' A' ' 29' ' ' ILE . 2.6 t80 -74.63 -42.56 58.36 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 109.206 -0.665 . . . . 0.0 109.206 179.065 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 56.0 mt -61.93 -47.52 92.84 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 115.454 -0.794 . . . . 0.0 109.993 178.825 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -69.81 -32.21 70.53 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.359 179.651 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -67.84 -47.2 69.64 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.007 179.5 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . 0.428 HD11 ' CE2' ' A' ' 25' ' ' PHE . 12.5 mt -68.95 -32.45 54.59 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.02 179.161 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 6.9 tt0 -76.61 -32.72 58.24 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.193 179.266 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 5.1 m-20 -69.4 -28.89 66.55 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.997 179.899 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 8.6 tp10 -80.6 -45.1 17.87 Favored 'General case' 0 C--N 1.33 -0.273 0 N-CA-C 109.574 -0.528 . . . . 0.0 109.574 179.21 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 45.5 mt -64.55 -32.21 56.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-N 115.337 -0.847 . . . . 0.0 109.759 178.721 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 36.6 mttt -69.62 -47.1 64.62 Favored 'General case' 0 N--CA 1.456 -0.172 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.075 179.385 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 3.3 tpp180 -70.85 -24.29 62.49 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.954 -0.567 . . . . 0.0 110.768 179.166 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 5.3 mtp180 -81.96 4.76 21.44 Favored 'General case' 0 CA--C 1.534 0.349 0 CA-C-N 116.287 -0.415 . . . . 0.0 112.038 179.899 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 2.8 t 61.32 34.48 18.48 Favored 'General case' 0 C--O 1.23 0.065 0 CA-C-O 121.14 0.495 . . . . 0.0 110.328 -179.663 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 8.6 tp -123.08 27.06 7.79 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.538 -0.756 . . . . 0.0 110.547 -179.549 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -70.83 -7.33 61.63 Favored Glycine 0 C--N 1.336 0.533 0 C-N-CA 121.0 -0.619 . . . . 0.0 113.067 179.803 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 8.8 p-80 -83.88 -32.24 25.28 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 117.348 0.574 . . . . 0.0 109.497 178.8 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 6.2 tp . . . . . 0 CA--C 1.533 0.325 0 CA-C-N 115.804 -0.635 . . . . 0.0 109.829 178.798 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.321 0 N-CA-C 110.257 -0.275 . . . . 0.0 110.257 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 5.4 mp -80.39 -37.5 32.15 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.233 179.078 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 14.0 tp -63.43 -44.52 94.33 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.958 -0.565 . . . . 0.0 109.574 178.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.456 ' CG2' ' CZ ' ' A' ' 14' ' ' PHE . 23.5 mt -72.49 -34.88 49.69 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.525 0 CA-C-N 115.621 -0.718 . . . . 0.0 109.858 179.162 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -61.38 -28.36 69.18 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.084 -0.507 . . . . 0.0 109.822 178.206 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 5.9 m -73.21 -47.07 46.61 Favored 'General case' 0 N--CA 1.455 -0.185 0 N-CA-C 109.463 -0.569 . . . . 0.0 109.463 179.122 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . 0.413 ' CE1' ' HB2' ' A' ' 30' ' ' GLU . 75.3 t80 -62.87 -38.73 92.04 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.792 -0.64 . . . . 0.0 109.948 178.847 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . 0.456 ' CZ ' ' CG2' ' A' ' 10' ' ' ILE . 6.2 m-30 -72.39 -46.18 56.38 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.596 -0.729 . . . . 0.0 110.282 179.702 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.59 -42.47 95.56 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.881 -0.599 . . . . 0.0 110.589 179.305 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -65.76 -38.28 88.64 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.013 -0.539 . . . . 0.0 111.548 -179.662 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 20.8 p -65.0 -32.63 74.45 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.876 0.369 . . . . 0.0 110.501 179.81 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 5.6 mt-10 -75.04 -48.06 25.87 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.631 -179.734 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 4.5 ptp -80.43 -14.43 58.3 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 112.38 0.511 . . . . 0.0 112.38 -179.266 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 4.9 m120 75.69 38.26 0.38 Allowed 'General case' 0 N--CA 1.465 0.28 0 CA-C-O 121.197 0.523 . . . . 0.0 109.978 -178.913 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.424 HD11 ' CD2' ' A' ' 25' ' ' PHE . 2.8 tt -55.05 158.77 2.71 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 115.479 -0.782 . . . . 0.0 110.66 -179.922 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 9.7 t-20 -41.79 133.67 2.74 Favored 'General case' 0 N--CA 1.47 0.572 0 N-CA-C 112.208 0.447 . . . . 0.0 112.208 -179.739 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 2.5 tpt180 -54.75 -31.36 58.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.916 -179.293 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -67.17 -33.52 75.57 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.747 0.308 . . . . 0.0 111.07 -179.639 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . 0.424 ' CD2' HD11 ' A' ' 21' ' ' LEU . 7.5 t80 -75.99 -43.67 43.36 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 109.313 -0.625 . . . . 0.0 109.313 179.148 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 61.6 mt -61.09 -44.98 99.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 115.453 -0.794 . . . . 0.0 110.104 178.875 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 2.7 tp10 -72.17 -32.98 67.35 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.303 179.497 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -66.37 -47.77 72.31 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.053 179.44 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . 0.422 HD13 ' CD2' ' A' ' 25' ' ' PHE . 9.9 mt -67.76 -32.21 55.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.097 179.179 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . 0.413 ' HB2' ' CE1' ' A' ' 13' ' ' TYR . 3.5 tt0 -76.4 -33.55 58.85 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.253 179.341 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 48.0 m-20 -67.92 -29.24 68.27 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.891 -0.595 . . . . 0.0 111.105 179.818 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 1.7 tp10 -80.58 -44.82 18.35 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 109.561 -0.533 . . . . 0.0 109.561 179.29 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 46.4 mt -65.16 -32.0 56.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-N 115.366 -0.834 . . . . 0.0 109.823 178.76 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 22.6 mttt -71.25 -46.24 61.45 Favored 'General case' 0 N--CA 1.455 -0.186 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.065 179.307 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 13.1 mtt85 -70.83 -23.84 62.42 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.925 -0.579 . . . . 0.0 110.47 178.877 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 43.1 mtt180 -83.48 6.29 20.85 Favored 'General case' 0 CA--C 1.534 0.346 0 CA-C-N 116.363 -0.38 . . . . 0.0 112.005 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 6.3 t 60.66 34.53 20.06 Favored 'General case' 0 C--O 1.231 0.121 0 CA-C-O 121.08 0.467 . . . . 0.0 110.483 -179.734 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 8.3 tp -123.04 27.19 7.75 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.647 -0.706 . . . . 0.0 110.737 -179.515 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -70.88 -7.66 62.45 Favored Glycine 0 C--N 1.334 0.462 0 C-N-CA 121.073 -0.584 . . . . 0.0 112.988 179.695 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 22.5 p-80 -83.18 -31.48 27.1 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 117.371 0.585 . . . . 0.0 109.518 178.779 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 6.3 tp . . . . . 0 CA--C 1.532 0.268 0 CA-C-N 115.791 -0.64 . . . . 0.0 109.981 179.037 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 . . . . . 0 N--CA 1.455 -0.221 0 CA-C-O 121.044 0.45 . . . . 0.0 110.063 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -79.77 -33.86 40.27 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.543 -0.753 . . . . 0.0 110.423 179.25 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 15.8 tp -74.38 -47.2 35.54 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.702 -0.681 . . . . 0.0 110.573 179.737 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.459 ' CG2' ' CZ ' ' A' ' 14' ' ' PHE . 33.5 mt -68.59 -33.88 62.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.499 179.798 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 12.1 mm-40 -62.25 -28.77 69.94 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.152 178.632 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -73.67 -45.65 51.21 Favored 'General case' 0 C--N 1.331 -0.201 0 N-CA-C 109.66 -0.496 . . . . 0.0 109.66 179.289 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . 0.418 ' CE1' ' HB2' ' A' ' 30' ' ' GLU . 54.0 t80 -63.93 -36.53 84.26 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.809 -0.632 . . . . 0.0 109.711 178.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . 0.459 ' CZ ' ' CG2' ' A' ' 10' ' ' ILE . 5.7 m-30 -74.57 -48.05 29.03 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.448 -0.796 . . . . 0.0 110.308 179.807 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 43.2 mtmt -64.06 -44.03 93.68 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.46 179.448 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -62.31 -37.73 86.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.875 -0.602 . . . . 0.0 111.601 -179.625 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 35.1 p -66.6 -32.4 73.7 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.935 0.398 . . . . 0.0 110.298 179.587 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 10.3 mt-10 -74.75 -49.02 22.49 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 115.957 -0.565 . . . . 0.0 111.564 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 3.5 ptt? -80.25 -14.71 58.19 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 112.368 0.507 . . . . 0.0 112.368 -179.431 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 11.7 m120 75.08 39.73 0.38 Allowed 'General case' 0 N--CA 1.464 0.268 0 CA-C-O 121.193 0.521 . . . . 0.0 110.013 -178.885 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.418 HD23 ' CD2' ' A' ' 25' ' ' PHE . 3.0 tt -56.46 157.97 4.71 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.626 -0.715 . . . . 0.0 110.532 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 54.0 t-20 -41.84 133.4 2.84 Favored 'General case' 0 N--CA 1.47 0.574 0 N-CA-C 112.16 0.43 . . . . 0.0 112.16 -179.747 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -54.95 -26.39 35.99 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.945 -0.57 . . . . 0.0 111.892 -179.378 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -69.7 -36.58 76.06 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.668 0.271 . . . . 0.0 111.022 -179.738 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . 0.42 ' CD2' HD12 ' A' ' 29' ' ' ILE . 2.5 t80 -74.66 -41.13 60.87 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 109.372 -0.603 . . . . 0.0 109.372 179.107 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 59.0 mt -62.02 -45.95 97.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 115.517 -0.765 . . . . 0.0 109.893 178.745 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -71.16 -33.6 70.17 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.163 179.458 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -66.57 -47.43 72.81 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.827 -0.624 . . . . 0.0 109.946 179.316 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . 0.42 HD12 ' CD2' ' A' ' 25' ' ' PHE . 6.6 mt -67.96 -32.17 55.14 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.071 179.254 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . 0.418 ' HB2' ' CE1' ' A' ' 13' ' ' TYR . 4.7 tt0 -76.31 -32.74 58.9 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.149 179.157 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 6.7 m120 -68.91 -28.13 66.4 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.801 -0.636 . . . . 0.0 111.1 179.743 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 2.7 tp10 -80.36 -45.69 17.32 Favored 'General case' 0 CA--C 1.519 -0.247 0 N-CA-C 109.56 -0.534 . . . . 0.0 109.56 179.269 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 65.3 mt -64.56 -31.8 55.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 CA-C-N 115.435 -0.802 . . . . 0.0 109.906 178.784 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 21.2 mttt -70.74 -46.67 62.57 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.2 -0.454 . . . . 0.0 109.864 179.299 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 21.4 mtm180 -70.93 -24.35 62.43 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.63 179.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 17.7 mtt-85 -81.92 4.43 22.57 Favored 'General case' 0 CA--C 1.534 0.344 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.873 179.904 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 3.5 t 61.31 33.97 18.73 Favored 'General case' 0 CA--C 1.523 -0.062 0 CA-C-O 121.119 0.485 . . . . 0.0 110.311 -179.572 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.401 ' CD2' HD13 ' A' ' 10' ' ' ILE . 9.8 tp -123.15 28.18 7.26 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.599 -0.728 . . . . 0.0 110.642 -179.361 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -69.65 -8.74 60.78 Favored Glycine 0 C--N 1.334 0.468 0 C-N-CA 120.989 -0.624 . . . . 0.0 113.044 179.765 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -81.95 -31.71 31.13 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 117.379 0.589 . . . . 0.0 109.7 178.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 6.9 tp . . . . . 0 CA--C 1.533 0.292 0 CA-C-N 115.749 -0.659 . . . . 0.0 110.116 178.867 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.455 -0.208 0 CA-C-O 120.876 0.37 . . . . 0.0 110.244 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -81.99 -32.85 30.43 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.56 179.38 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 15.4 tp -75.2 -44.02 48.72 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.744 179.751 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.466 ' CG2' ' CZ ' ' A' ' 14' ' ' PHE . 62.2 mt -69.75 -37.79 74.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.594 179.85 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -61.28 -27.82 68.74 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.044 178.628 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 69.0 m -71.92 -47.02 55.51 Favored 'General case' 0 CA--C 1.521 -0.156 0 N-CA-C 109.743 -0.465 . . . . 0.0 109.743 179.121 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . 0.411 ' CE1' ' HB2' ' A' ' 30' ' ' GLU . 65.2 t80 -64.01 -38.43 91.05 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.049 179.045 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . 0.466 ' CZ ' ' CG2' ' A' ' 10' ' ' ILE . 12.3 m-30 -72.87 -43.21 62.82 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.481 -0.781 . . . . 0.0 110.75 179.816 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 28.4 mtmt -65.21 -47.92 75.2 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.625 179.42 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -63.8 -33.76 76.4 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.95 -0.568 . . . . 0.0 111.784 -179.702 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 14.9 p -68.06 -32.59 73.04 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.803 0.335 . . . . 0.0 110.465 179.807 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -76.84 -48.01 19.7 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.482 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 3.6 ptt? -80.08 -14.58 58.41 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.218 -0.446 . . . . 0.0 112.084 -179.59 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 12.5 m120 74.02 37.16 0.65 Allowed 'General case' 0 N--CA 1.463 0.201 0 CA-C-O 121.161 0.505 . . . . 0.0 110.141 -178.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.402 HD21 ' CD2' ' A' ' 25' ' ' PHE . 2.8 tt -54.37 160.36 1.71 Allowed 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 115.588 -0.733 . . . . 0.0 110.541 179.88 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 10.4 t-20 -41.71 133.19 2.79 Favored 'General case' 0 N--CA 1.472 0.628 0 N-CA-C 112.079 0.399 . . . . 0.0 112.079 -179.674 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 6.1 tpp85 -54.5 -28.81 47.71 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.778 -179.36 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -66.55 -35.45 80.26 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 120.733 0.301 . . . . 0.0 110.998 -179.721 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . 0.413 ' CD2' HD11 ' A' ' 29' ' ' ILE . 2.4 t80 -74.64 -43.59 54.66 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 109.263 -0.643 . . . . 0.0 109.263 179.092 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . 0.459 HG21 HD12 ' A' ' 26' ' ' ILE . 58.4 mt -61.99 -45.77 97.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 115.531 -0.758 . . . . 0.0 110.056 178.882 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -71.13 -32.8 69.43 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.426 179.623 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -67.45 -47.27 70.64 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.07 179.569 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . 0.413 HD11 ' CD2' ' A' ' 25' ' ' PHE . 10.4 mt -69.04 -32.35 53.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.107 179.197 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . 0.411 ' HB2' ' CE1' ' A' ' 13' ' ' TYR . 5.8 tt0 -76.56 -32.87 58.45 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.343 179.171 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 49.8 m-20 -68.56 -29.56 68.13 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.815 -0.629 . . . . 0.0 110.982 179.904 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 8.9 tp10 -80.22 -45.8 17.39 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 109.542 -0.54 . . . . 0.0 109.542 179.139 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 47.1 mt -63.31 -32.18 55.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-N 115.358 -0.837 . . . . 0.0 109.76 178.793 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 22.0 mttt -69.64 -47.99 61.46 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.196 179.545 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 1.3 tmt_? -70.74 -24.26 62.59 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.811 179.143 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 30.5 mtt180 -81.39 3.92 22.71 Favored 'General case' 0 CA--C 1.534 0.342 0 N-CA-C 112.093 0.405 . . . . 0.0 112.093 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 3.7 t 62.23 34.71 15.87 Favored 'General case' 0 C--O 1.232 0.133 0 CA-C-O 121.063 0.458 . . . . 0.0 110.371 -179.757 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.403 ' CD2' HD12 ' A' ' 10' ' ' ILE . 7.8 tp -123.02 27.48 7.63 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.634 -0.712 . . . . 0.0 110.449 -179.707 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -71.22 -7.24 62.82 Favored Glycine 0 C--N 1.337 0.598 0 C-N-CA 121.017 -0.611 . . . . 0.0 113.015 179.891 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' HIS . . . . . 0.415 ' CD2' ' N ' ' A' ' 41' ' ' ILE . 3.2 p-80 -84.53 -32.08 24.08 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 117.315 0.558 . . . . 0.0 109.581 178.932 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.415 ' N ' ' CD2' ' A' ' 40' ' ' HIS . 5.9 tp . . . . . 0 CA--C 1.532 0.281 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.027 179.084 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 . . . . . 0 N--CA 1.456 -0.167 0 CA-C-O 120.898 0.38 . . . . 0.0 110.218 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -81.05 -35.21 32.09 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.665 179.363 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 14.9 tp -74.36 -44.59 51.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.777 179.828 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.451 ' CG2' ' CZ ' ' A' ' 14' ' ' PHE . 51.6 mt -69.87 -35.46 64.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.551 179.87 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -62.1 -28.42 69.61 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.182 178.735 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -73.65 -45.82 50.38 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-O 121.016 0.436 . . . . 0.0 109.835 179.255 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . 0.412 ' CZ ' ' HG3' ' A' ' 30' ' ' GLU . 63.4 t80 -64.16 -38.19 90.18 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.871 -0.604 . . . . 0.0 109.776 178.786 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . 0.451 ' CZ ' ' CG2' ' A' ' 10' ' ' ILE . 7.1 m-30 -73.2 -46.38 50.82 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.471 -0.786 . . . . 0.0 110.462 179.68 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 7.5 mmpt? -65.48 -45.64 82.87 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.817 -0.628 . . . . 0.0 110.499 179.361 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -63.07 -35.04 78.93 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.83 -0.623 . . . . 0.0 111.627 -179.579 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 18.5 p -68.94 -32.59 72.3 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.958 0.409 . . . . 0.0 110.454 179.73 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -75.76 -46.17 32.31 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.456 -179.879 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 3.7 ptt? -82.54 -15.29 52.88 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 112.162 0.43 . . . . 0.0 112.162 -179.49 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 18.4 m-80 74.26 39.76 0.47 Allowed 'General case' 0 N--CA 1.463 0.196 0 CA-C-O 121.254 0.549 . . . . 0.0 109.934 -178.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.424 HD21 ' CD2' ' A' ' 25' ' ' PHE . 2.7 tt -55.77 159.45 3.07 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 115.45 -0.795 . . . . 0.0 110.547 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 61.6 t30 -41.34 131.4 2.83 Favored 'General case' 0 N--CA 1.47 0.557 0 N-CA-C 112.158 0.429 . . . . 0.0 112.158 -179.859 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.43 -32.57 27.1 Favored 'General case' 0 N--CA 1.464 0.265 0 CA-C-N 115.909 -0.587 . . . . 0.0 112.099 -179.267 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 1.9 t0 -65.14 -35.78 82.18 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.584 -0.28 . . . . 0.0 111.304 -179.522 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . 0.425 ' CD2' HD13 ' A' ' 29' ' ' ILE . 2.5 t80 -74.68 -43.91 52.84 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 179.239 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 56.3 mt -61.31 -46.1 97.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 115.63 -0.714 . . . . 0.0 110.062 178.909 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -70.66 -33.14 70.64 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.077 0.465 . . . . 0.0 110.336 179.66 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -67.79 -46.67 71.31 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.0 179.439 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . 0.425 HD13 ' CD2' ' A' ' 25' ' ' PHE . 6.1 mt -68.14 -32.95 58.15 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.108 179.178 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . 0.412 ' HG3' ' CZ ' ' A' ' 13' ' ' TYR . 8.4 tt0 -76.49 -32.65 58.47 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.288 179.51 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 6.8 m120 -69.46 -28.88 66.48 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.94 -0.573 . . . . 0.0 111.152 179.883 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -80.5 -45.2 17.9 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.221 0.534 . . . . 0.0 109.608 179.295 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 44.4 mt -63.35 -32.21 55.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-N 115.394 -0.821 . . . . 0.0 109.744 178.722 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 14.9 mtmt -71.49 -49.03 45.14 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.156 179.404 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 1.4 tpt180 -69.37 -24.2 63.84 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.635 179.133 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 39.9 mtt180 -82.73 5.85 20.0 Favored 'General case' 0 CA--C 1.533 0.322 0 N-CA-C 112.18 0.437 . . . . 0.0 112.18 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 24.1 t 60.75 34.74 19.79 Favored 'General case' 0 C--O 1.231 0.125 0 CA-C-O 121.092 0.472 . . . . 0.0 110.458 -179.857 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.407 ' CD2' HD13 ' A' ' 10' ' ' ILE . 8.0 tp -123.11 25.07 8.65 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.667 -0.697 . . . . 0.0 110.76 -179.606 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -69.07 -9.65 60.52 Favored Glycine 0 C--N 1.335 0.522 0 C-N-CA 120.967 -0.635 . . . . 0.0 112.968 179.83 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 7.6 p-80 -81.14 -33.07 33.41 Favored 'General case' 0 N--CA 1.454 -0.272 0 CA-C-N 117.269 0.534 . . . . 0.0 109.689 179.025 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 6.1 tp . . . . . 0 CA--C 1.533 0.31 0 CA-C-O 121.418 0.628 . . . . 0.0 109.928 178.981 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.455 -0.218 0 CA-C-O 120.691 0.281 . . . . 0.0 110.255 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -79.69 -38.07 34.36 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.002 179.602 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 45.5 tp -74.97 -44.5 48.01 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.988 -179.919 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.458 ' CG2' ' CZ ' ' A' ' 14' ' ' PHE . 62.0 mt -69.73 -33.91 58.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.625 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -62.61 -28.6 70.01 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.069 178.65 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 49.4 m -72.6 -46.03 56.18 Favored 'General case' 0 N--CA 1.454 -0.225 0 N-CA-C 109.687 -0.486 . . . . 0.0 109.687 179.342 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . 0.421 ' CE1' ' HB2' ' A' ' 30' ' ' GLU . 75.6 t80 -65.09 -39.06 92.63 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.86 -0.609 . . . . 0.0 109.98 178.933 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . 0.458 ' CZ ' ' CG2' ' A' ' 10' ' ' ILE . 7.2 m-30 -72.25 -42.66 65.4 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.628 -0.715 . . . . 0.0 110.545 179.721 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.44 -45.38 80.03 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.332 179.241 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -59.69 -36.11 75.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.915 -0.584 . . . . 0.0 111.419 -179.782 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 59.4 p -69.77 -32.55 71.11 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.95 0.405 . . . . 0.0 110.285 179.506 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -77.14 -45.18 27.69 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.619 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 3.5 ptt? -83.79 -15.91 46.68 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 112.184 0.439 . . . . 0.0 112.184 -179.432 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 21.6 m-20 75.53 37.68 0.42 Allowed 'General case' 0 N--CA 1.464 0.271 0 CA-C-O 121.082 0.468 . . . . 0.0 110.144 -179.049 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.412 HD13 ' CD2' ' A' ' 25' ' ' PHE . 3.1 tt -57.76 156.97 7.92 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.725 -0.671 . . . . 0.0 110.397 179.928 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 48.9 t30 -41.31 137.46 1.43 Allowed 'General case' 0 N--CA 1.472 0.637 0 N-CA-C 112.272 0.471 . . . . 0.0 112.272 -179.646 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.1 -31.42 63.25 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.934 -0.575 . . . . 0.0 111.622 -179.409 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -64.74 -32.98 74.91 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.79 0.329 . . . . 0.0 110.848 -179.757 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . 0.425 ' CE2' HD13 ' A' ' 29' ' ' ILE . 3.4 t80 -76.02 -45.93 31.97 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 109.249 -0.648 . . . . 0.0 109.249 179.081 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 63.9 mt -59.42 -42.94 89.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 115.513 -0.767 . . . . 0.0 110.178 178.862 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -74.67 -33.15 62.42 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.387 179.602 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -67.07 -46.69 73.53 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.758 -0.656 . . . . 0.0 110.077 179.489 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . 0.425 HD13 ' CE2' ' A' ' 25' ' ' PHE . 10.5 mt -68.27 -32.13 54.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.151 179.25 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . 0.421 ' HB2' ' CE1' ' A' ' 13' ' ' TYR . 0.8 OUTLIER -76.25 -32.31 58.8 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.174 179.184 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 4.7 m-20 -70.01 -28.67 65.68 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.925 179.731 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -80.28 -46.73 15.69 Favored 'General case' 0 CA--C 1.519 -0.24 0 N-CA-C 109.406 -0.591 . . . . 0.0 109.406 179.181 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 45.0 mt -63.62 -32.67 57.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-N 115.351 -0.84 . . . . 0.0 109.577 178.604 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 5.8 mmtt -69.01 -47.65 64.95 Favored 'General case' 0 N--CA 1.456 -0.143 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.08 179.319 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 1.2 tpm_? -68.56 -22.67 64.47 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.578 178.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -84.63 7.66 19.5 Favored 'General case' 0 CA--C 1.533 0.319 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.868 179.726 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 2.6 t 59.29 33.57 22.6 Favored 'General case' 0 N--CA 1.461 0.082 0 CA-C-O 121.061 0.458 . . . . 0.0 110.465 -179.594 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 8.5 tp -123.01 21.46 9.79 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.717 -0.674 . . . . 0.0 111.379 -179.413 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -63.63 -25.31 68.76 Favored Glycine 0 C--N 1.334 0.444 0 C-N-CA 120.225 -0.988 . . . . 0.0 111.982 179.481 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -62.54 -24.56 67.58 Favored 'General case' 0 C--N 1.33 -0.244 0 O-C-N 122.451 -0.44 . . . . 0.0 110.598 179.243 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 6.2 tp . . . . . 0 CA--C 1.536 0.437 0 CA-C-O 121.107 0.479 . . . . 0.0 110.626 179.828 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 . . . . . 0 N--CA 1.455 -0.207 0 CA-C-O 120.91 0.386 . . . . 0.0 110.232 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -79.27 -35.72 40.93 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.654 179.413 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 14.7 tp -72.68 -43.9 62.5 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.699 179.911 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.452 ' CG2' ' CZ ' ' A' ' 14' ' ' PHE . 49.5 mt -71.52 -35.2 55.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.264 179.639 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -62.02 -28.63 69.71 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.209 178.696 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 24.2 m -73.87 -45.67 49.53 Favored 'General case' 0 C--N 1.332 -0.192 0 N-CA-C 109.611 -0.514 . . . . 0.0 109.611 179.253 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . 0.415 ' CE1' ' HB2' ' A' ' 30' ' ' GLU . 59.8 t80 -64.48 -38.66 91.78 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.916 -0.584 . . . . 0.0 109.82 178.834 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . 0.452 ' CZ ' ' CG2' ' A' ' 10' ' ' ILE . 8.1 m-30 -72.51 -46.02 56.62 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.581 -0.736 . . . . 0.0 110.294 179.618 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 3.5 mmpt? -65.63 -39.25 91.26 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.646 179.454 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -68.89 -38.45 79.65 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.939 -0.573 . . . . 0.0 111.821 -179.503 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 39.5 p -66.17 -32.54 74.04 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.869 0.366 . . . . 0.0 110.608 179.848 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -74.44 -45.54 45.79 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.504 -179.731 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 4.9 ptp -83.37 -14.21 53.28 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 112.295 0.48 . . . . 0.0 112.295 -179.38 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 11.6 m-80 75.09 38.95 0.41 Allowed 'General case' 0 N--CA 1.463 0.189 0 CA-C-O 121.27 0.557 . . . . 0.0 109.84 -178.806 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.415 HD23 ' CD2' ' A' ' 25' ' ' PHE . 2.4 tt -55.44 160.63 2.27 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 115.365 -0.834 . . . . 0.0 110.592 -179.76 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 4.8 t-20 -41.99 132.28 3.2 Favored 'General case' 0 N--CA 1.47 0.575 0 N-CA-C 112.15 0.426 . . . . 0.0 112.15 -179.655 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 2.3 tpp180 -55.61 -27.9 52.13 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.011 -0.541 . . . . 0.0 111.774 -179.442 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 9.5 m-20 -69.31 -36.56 77.11 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.698 0.285 . . . . 0.0 110.922 -179.744 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . 0.419 ' CD2' HD12 ' A' ' 29' ' ' ILE . 4.9 t80 -74.94 -42.3 57.98 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 109.275 -0.639 . . . . 0.0 109.275 179.13 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 57.7 mt -60.45 -44.44 96.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 115.559 -0.746 . . . . 0.0 109.896 178.783 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -72.77 -33.41 66.29 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.242 179.433 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -66.35 -47.41 73.53 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.723 -0.671 . . . . 0.0 110.038 179.491 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . 0.419 HD12 ' CD2' ' A' ' 25' ' ' PHE . 6.7 mt -67.9 -32.34 55.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.166 179.267 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . 0.415 ' HB2' ' CE1' ' A' ' 13' ' ' TYR . 3.4 tt0 -76.33 -33.22 59.0 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.96 -0.563 . . . . 0.0 110.093 179.25 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 43.2 m-20 -68.01 -29.26 68.22 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.982 179.73 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 1.4 tp10 -80.43 -46.84 15.28 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 109.428 -0.582 . . . . 0.0 109.428 179.175 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 46.2 mt -63.68 -31.89 54.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-N 115.314 -0.857 . . . . 0.0 109.702 178.53 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 20.1 mttt -71.65 -48.37 48.21 Favored 'General case' 0 N--CA 1.456 -0.157 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.232 179.473 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 58.0 ttt180 -70.33 -23.52 62.84 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.703 179.028 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 18.7 mtt180 -82.75 5.44 21.4 Favored 'General case' 0 CA--C 1.535 0.369 0 CA-C-N 116.27 -0.423 . . . . 0.0 112.001 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 33.7 t 61.51 34.98 17.7 Favored 'General case' 0 C--O 1.232 0.147 0 CA-C-O 121.077 0.465 . . . . 0.0 110.386 -179.82 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.401 ' CD2' HD12 ' A' ' 10' ' ' ILE . 8.1 tp -123.01 26.83 7.93 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.639 -0.709 . . . . 0.0 110.567 -179.656 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -71.34 -7.2 63.27 Favored Glycine 0 C--N 1.335 0.489 0 C-N-CA 121.006 -0.616 . . . . 0.0 113.025 179.773 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 16.7 t60 -83.92 -31.74 25.48 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 109.587 -0.523 . . . . 0.0 109.587 178.795 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 6.1 tp . . . . . 0 CA--C 1.533 0.317 0 CA-C-N 115.787 -0.642 . . . . 0.0 109.982 179.0 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 . . . . . 0 N--CA 1.456 -0.146 0 CA-C-O 120.862 0.363 . . . . 0.0 110.459 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -81.51 -38.33 26.44 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.863 -0.608 . . . . 0.0 111.176 179.595 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 12.4 tp -75.48 -36.61 60.6 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.367 -179.511 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.464 ' CG2' ' CZ ' ' A' ' 14' ' ' PHE . 70.5 mt -75.15 -40.11 43.83 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-O 120.784 0.326 . . . . 0.0 110.457 179.92 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -60.91 -28.9 69.26 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.309 178.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 1.6 t -74.81 -44.27 50.28 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-O 121.072 0.463 . . . . 0.0 109.903 179.254 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . 0.418 ' CE1' ' HB2' ' A' ' 30' ' ' GLU . 44.6 t80 -69.58 -36.59 76.41 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.646 -0.706 . . . . 0.0 110.11 179.297 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . 0.464 ' CZ ' ' CG2' ' A' ' 10' ' ' ILE . 6.1 m-30 -75.09 -38.67 61.12 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.703 -0.681 . . . . 0.0 110.41 179.837 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 3.2 mmpt? -66.47 -54.87 19.2 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.403 179.018 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -59.59 -31.58 69.6 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.915 -0.584 . . . . 0.0 111.66 -179.623 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 5.4 p -69.85 -32.78 71.35 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.878 0.371 . . . . 0.0 110.369 179.754 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -77.6 -46.21 22.86 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.365 -179.885 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 3.1 ptt? -81.8 -15.43 54.24 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.177 -0.465 . . . . 0.0 112.186 -179.449 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 6.3 m120 73.99 39.62 0.5 Allowed 'General case' 0 N--CA 1.463 0.183 0 CA-C-O 121.139 0.495 . . . . 0.0 110.099 -178.907 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 2.6 tt -55.98 160.99 2.51 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.544 -0.753 . . . . 0.0 110.571 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 6.4 t-20 -40.86 136.53 1.41 Allowed 'General case' 0 N--CA 1.471 0.596 0 N-CA-C 112.336 0.495 . . . . 0.0 112.336 -179.65 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -55.47 -33.09 63.35 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.945 -0.571 . . . . 0.0 111.738 -179.365 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -64.56 -35.05 79.72 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.552 -0.295 . . . . 0.0 111.217 -179.502 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . 0.421 ' CD2' HD11 ' A' ' 29' ' ' ILE . 4.5 t80 -74.81 -45.31 44.31 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 109.551 -0.537 . . . . 0.0 109.551 179.389 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 45.7 mt -61.82 -41.84 92.24 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 115.7 -0.682 . . . . 0.0 110.031 179.023 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -73.58 -33.73 64.78 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.112 0.482 . . . . 0.0 110.248 179.344 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -68.64 -45.67 71.2 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.653 -0.703 . . . . 0.0 110.228 179.597 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . 0.421 HD11 ' CD2' ' A' ' 25' ' ' PHE . 10.3 mt -68.11 -32.66 56.95 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.062 179.356 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . 0.418 ' HB2' ' CE1' ' A' ' 13' ' ' TYR . 4.7 tm-20 -76.6 -33.0 58.43 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.516 179.372 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 43.6 m-20 -67.04 -32.59 73.89 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.945 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 48.4 tt0 -79.16 -45.58 19.66 Favored 'General case' 0 C--N 1.328 -0.37 0 CA-C-O 121.317 0.579 . . . . 0.0 109.469 179.177 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 81.5 mt -63.08 -31.52 52.92 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-N 115.341 -0.845 . . . . 0.0 109.576 178.513 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 17.1 mmtt -71.59 -49.29 41.79 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.637 179.559 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.85 -22.92 63.23 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.767 179.203 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -83.71 6.66 20.23 Favored 'General case' 0 CA--C 1.533 0.319 0 N-CA-C 112.171 0.434 . . . . 0.0 112.171 -179.865 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 26.9 t 61.75 34.73 17.18 Favored 'General case' 0 C--O 1.23 0.067 0 CA-C-O 121.221 0.534 . . . . 0.0 110.182 -179.502 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 11.4 tp -122.46 22.38 9.99 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.283 -0.871 . . . . 0.0 110.762 -179.432 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -76.81 -2.14 75.34 Favored Glycine 0 C--N 1.335 0.527 0 C-N-CA 120.747 -0.74 . . . . 0.0 113.053 179.864 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 4.9 p-80 -88.99 -30.75 18.52 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 117.151 0.475 . . . . 0.0 109.934 179.147 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 5.6 tp . . . . . 0 CA--C 1.531 0.221 0 CA-C-O 121.605 0.717 . . . . 0.0 109.25 179.353 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.289 0 N-CA-C 110.271 -0.27 . . . . 0.0 110.271 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 5.4 mp -79.79 -40.84 27.74 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.533 179.119 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 10.6 tp -61.65 -42.57 99.09 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.052 -0.522 . . . . 0.0 109.707 179.005 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.457 ' CG2' ' CE1' ' A' ' 14' ' ' PHE . 22.0 mt -73.68 -35.03 42.9 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.527 0 CA-C-N 115.688 -0.687 . . . . 0.0 109.804 178.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -61.17 -28.55 69.21 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.007 -0.542 . . . . 0.0 109.948 178.424 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -74.33 -46.45 40.75 Favored 'General case' 0 CA--C 1.52 -0.185 0 N-CA-C 109.445 -0.576 . . . . 0.0 109.445 179.104 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . 0.415 ' CE1' ' HB2' ' A' ' 30' ' ' GLU . 74.2 t80 -62.89 -38.23 90.07 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.785 -0.643 . . . . 0.0 109.84 178.841 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . 0.457 ' CE1' ' CG2' ' A' ' 10' ' ' ILE . 5.4 m-30 -73.01 -50.0 25.62 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.498 -0.774 . . . . 0.0 110.227 179.659 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 7.9 mmpt? -61.34 -43.01 99.59 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.503 179.364 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -62.11 -39.24 91.84 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.827 -0.624 . . . . 0.0 111.807 -179.43 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 74.7 p -65.87 -32.41 73.91 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.891 0.377 . . . . 0.0 110.457 179.777 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -75.17 -47.57 27.75 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.535 -179.832 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 3.6 ptt? -81.27 -13.76 58.13 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 112.272 0.471 . . . . 0.0 112.272 -179.417 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 10.4 m120 74.52 38.3 0.51 Allowed 'General case' 0 N--CA 1.463 0.178 0 CA-C-O 121.226 0.536 . . . . 0.0 110.185 -178.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 3.2 tt -56.05 157.39 4.61 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 115.531 -0.759 . . . . 0.0 110.608 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 4.6 t-20 -43.28 131.52 4.63 Favored 'General case' 0 N--CA 1.468 0.461 0 N-CA-C 112.036 0.384 . . . . 0.0 112.036 -179.57 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -54.41 -27.09 34.45 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.976 -0.557 . . . . 0.0 111.802 -179.443 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 20.5 m-20 -67.24 -36.87 82.55 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.772 0.32 . . . . 0.0 110.824 -179.899 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . 0.421 ' CD2' HD11 ' A' ' 29' ' ' ILE . 2.5 t80 -75.65 -39.96 56.84 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 109.12 -0.696 . . . . 0.0 109.12 179.03 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . 0.417 HD13 HG23 ' A' ' 26' ' ' ILE . 67.5 mt -62.83 -47.46 92.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 115.508 -0.769 . . . . 0.0 109.82 178.688 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 3.7 tp10 -69.16 -33.69 73.81 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.236 179.407 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 1.1 tt -67.35 -46.81 72.29 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.116 179.483 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . 0.421 HD11 ' CD2' ' A' ' 25' ' ' PHE . 7.7 mt -69.39 -32.35 52.92 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.115 179.221 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . 0.415 ' HB2' ' CE1' ' A' ' 13' ' ' TYR . 9.6 tt0 -76.79 -31.82 57.24 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.219 179.156 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 6.5 m120 -70.48 -28.56 65.08 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.89 -0.596 . . . . 0.0 110.942 179.776 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -80.37 -46.01 16.77 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 109.497 -0.557 . . . . 0.0 109.497 179.254 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 42.8 mt -63.18 -32.02 54.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-N 115.358 -0.837 . . . . 0.0 109.71 178.64 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 27.9 mttt -69.68 -48.56 59.29 Favored 'General case' 0 N--CA 1.455 -0.177 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.32 179.449 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 2.9 tpt180 -70.88 -23.86 62.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.734 179.275 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 27.9 mtt-85 -81.14 3.33 23.9 Favored 'General case' 0 CA--C 1.535 0.37 0 N-CA-C 111.998 0.369 . . . . 0.0 111.998 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 21.5 t 63.29 33.83 13.73 Favored 'General case' 0 C--O 1.231 0.111 0 CA-C-O 121.068 0.461 . . . . 0.0 110.348 -179.824 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 8.0 tp -122.47 28.1 7.55 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.647 -0.706 . . . . 0.0 110.521 -179.807 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -71.42 -7.2 63.6 Favored Glycine 0 C--N 1.336 0.573 0 C-N-CA 121.017 -0.611 . . . . 0.0 112.993 179.73 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 12.6 t60 -84.21 -32.13 24.7 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 117.331 0.566 . . . . 0.0 109.664 178.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 6.3 tp . . . . . 0 CA--C 1.532 0.264 0 CA-C-N 115.747 -0.661 . . . . 0.0 109.963 179.163 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.454 -0.264 0 CA-C-O 120.84 0.352 . . . . 0.0 110.106 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -79.88 -37.11 35.51 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.639 179.323 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 15.5 tp -75.07 -46.71 32.93 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.773 -0.649 . . . . 0.0 110.827 179.864 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.457 ' CG2' ' CZ ' ' A' ' 14' ' ' PHE . 58.2 mt -67.72 -34.56 68.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.638 -179.917 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -61.67 -28.77 69.63 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.178 178.584 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -72.97 -45.05 60.18 Favored 'General case' 0 N--CA 1.455 -0.181 0 N-CA-C 109.638 -0.505 . . . . 0.0 109.638 179.291 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . 0.415 ' CE1' ' HB2' ' A' ' 30' ' ' GLU . 59.6 t80 -64.38 -38.39 90.87 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.781 -0.645 . . . . 0.0 109.768 178.851 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . 0.457 ' CZ ' ' CG2' ' A' ' 10' ' ' ILE . 14.8 m-30 -72.72 -46.41 53.73 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.512 -0.767 . . . . 0.0 110.571 179.682 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 40.7 mtmt -64.44 -45.72 86.27 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.385 179.47 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -59.78 -37.5 79.24 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.933 -0.576 . . . . 0.0 111.669 -179.805 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 47.3 p -68.44 -32.21 72.07 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.895 0.378 . . . . 0.0 110.506 179.811 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -77.77 -44.46 27.52 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.02 -0.536 . . . . 0.0 111.61 -179.764 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 3.8 ptt? -83.79 -15.55 48.01 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 112.172 0.434 . . . . 0.0 112.172 -179.384 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 8.1 m-80 75.6 36.38 0.48 Allowed 'General case' 0 N--CA 1.464 0.268 0 CA-C-O 121.076 0.465 . . . . 0.0 110.155 -179.125 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 3.2 tt -56.12 157.68 4.51 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.606 -0.724 . . . . 0.0 110.605 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 57.8 t30 -42.37 135.56 2.63 Favored 'General case' 0 N--CA 1.47 0.534 0 N-CA-C 112.148 0.425 . . . . 0.0 112.148 -179.742 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -55.68 -27.93 52.79 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.0 -0.545 . . . . 0.0 111.773 -179.391 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -66.09 -35.68 81.16 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.718 0.294 . . . . 0.0 110.644 -179.831 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . 0.421 ' CD2' HD12 ' A' ' 29' ' ' ILE . 3.4 t80 -74.69 -43.64 54.16 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 109.259 -0.645 . . . . 0.0 109.259 178.943 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 60.6 mt -61.39 -46.32 96.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 115.499 -0.773 . . . . 0.0 110.168 178.902 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -71.0 -33.01 69.98 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.024 0.44 . . . . 0.0 110.412 179.605 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -68.11 -46.79 69.95 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.824 -0.625 . . . . 0.0 110.145 179.519 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . 0.421 HD12 ' CD2' ' A' ' 25' ' ' PHE . 9.1 mt -69.4 -32.16 52.18 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.07 179.153 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . 0.415 ' HB2' ' CE1' ' A' ' 13' ' ' TYR . 6.9 tt0 -76.41 -32.4 58.48 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.037 -0.528 . . . . 0.0 110.202 179.025 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 7.0 m-20 -70.41 -28.02 64.74 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.937 179.754 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 10.3 tp10 -80.42 -46.88 15.23 Favored 'General case' 0 CA--C 1.519 -0.238 0 N-CA-C 109.446 -0.576 . . . . 0.0 109.446 179.112 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 40.0 mt -62.87 -32.62 56.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-N 115.371 -0.831 . . . . 0.0 109.841 178.766 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 14.4 mttt -69.0 -48.16 63.75 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.236 -0.438 . . . . 0.0 109.854 179.335 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -69.22 -25.52 64.35 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.477 179.018 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -77.51 0.65 22.01 Favored 'General case' 0 CA--C 1.534 0.357 0 CA-C-N 116.219 -0.446 . . . . 0.0 112.051 179.739 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 31.1 t 61.97 33.82 17.12 Favored 'General case' 0 C--O 1.231 0.114 0 CA-C-O 121.107 0.479 . . . . 0.0 110.089 -179.352 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 11.3 tp -123.38 24.51 8.66 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.665 -0.698 . . . . 0.0 110.913 -179.51 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -61.12 -29.03 69.98 Favored Glycine 0 C--N 1.334 0.461 0 C-N-CA 120.321 -0.943 . . . . 0.0 111.905 179.811 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 3.5 t60 -59.03 -24.02 62.47 Favored 'General case' 0 C--N 1.329 -0.303 0 O-C-N 122.59 -0.359 . . . . 0.0 110.937 179.364 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 6.4 tp . . . . . 0 CA--C 1.535 0.388 0 CA-C-O 121.067 0.46 . . . . 0.0 110.907 -179.875 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 5.2 mt-10 . . . . . 0 N--CA 1.454 -0.266 0 CA-C-O 120.957 0.408 . . . . 0.0 110.204 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -82.13 -32.53 30.07 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.53 179.336 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 16.7 tp -75.09 -43.25 54.09 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.739 179.707 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.448 ' CG2' ' CZ ' ' A' ' 14' ' ' PHE . 72.2 mt -70.91 -36.99 66.36 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.415 179.839 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.2 -28.06 69.41 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 109.964 -0.384 . . . . 0.0 109.964 178.58 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 7.4 m -71.35 -46.62 60.06 Favored 'General case' 0 N--CA 1.455 -0.225 0 N-CA-C 109.532 -0.544 . . . . 0.0 109.532 179.17 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . 0.411 ' CE1' ' HB2' ' A' ' 30' ' ' GLU . 79.0 t80 -65.17 -41.97 94.14 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.821 -0.627 . . . . 0.0 109.916 178.941 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . 0.448 ' CZ ' ' CG2' ' A' ' 10' ' ' ILE . 5.8 m-30 -67.45 -42.29 83.33 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.229 179.565 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 1.7 mmpt? -66.26 -49.06 68.46 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.417 179.412 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -59.83 -30.99 69.32 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.949 -0.569 . . . . 0.0 111.652 -179.721 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 68.8 p -72.73 -32.45 65.7 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 109.728 -0.471 . . . . 0.0 109.728 179.208 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -76.23 -50.74 13.66 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.046 179.471 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -81.87 -10.1 59.4 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.062 -0.517 . . . . 0.0 112.321 -179.875 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 7.0 m-20 65.34 45.76 2.79 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.176 0.513 . . . . 0.0 110.601 -179.295 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.418 HD21 ' CD2' ' A' ' 25' ' ' PHE . 2.3 tt -58.85 161.74 4.64 Favored 'General case' 0 C--N 1.332 -0.196 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.274 179.838 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 14.5 t30 -41.08 132.55 2.41 Favored 'General case' 0 N--CA 1.471 0.59 0 N-CA-C 112.181 0.438 . . . . 0.0 112.181 -179.809 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -51.94 -24.88 7.06 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 115.92 -0.582 . . . . 0.0 112.113 -179.319 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -72.59 -34.15 67.22 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.663 0.268 . . . . 0.0 111.25 -179.691 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . 0.424 ' CD2' HD12 ' A' ' 29' ' ' ILE . 2.5 t80 -76.07 -42.01 48.83 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 109.579 -0.526 . . . . 0.0 109.579 179.301 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 52.5 mt -61.67 -42.91 96.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 115.681 -0.69 . . . . 0.0 109.819 178.846 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 4.3 tt0 -74.97 -33.53 61.89 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.287 179.459 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 1.1 tt -66.92 -46.8 73.7 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.714 -0.676 . . . . 0.0 110.183 179.612 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . 0.424 HD12 ' CD2' ' A' ' 25' ' ' PHE . 6.0 mt -68.63 -32.58 55.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.01 179.252 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . 0.411 ' HB2' ' CE1' ' A' ' 13' ' ' TYR . 1.8 tt0 -76.7 -32.87 58.14 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.366 179.234 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 39.1 m-20 -68.23 -30.25 69.26 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.98 -0.555 . . . . 0.0 111.018 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 1.7 tp10 -80.16 -46.8 15.75 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 109.391 -0.596 . . . . 0.0 109.391 179.018 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 58.7 mt -63.16 -31.96 54.59 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 CA-C-N 115.265 -0.879 . . . . 0.0 109.598 178.568 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 32.9 mmtt -70.9 -49.05 49.98 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.205 179.412 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 5.7 tmm_? -68.15 -22.85 64.83 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.609 178.913 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 10.7 mtt180 -83.9 7.05 19.42 Favored 'General case' 0 CA--C 1.533 0.306 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.967 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 5.2 t 60.23 32.61 20.88 Favored 'General case' 0 C--O 1.231 0.12 0 CA-C-O 121.027 0.441 . . . . 0.0 110.458 -179.626 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 7.3 tp -123.34 23.52 9.01 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.91 -179.41 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -69.69 -8.55 60.55 Favored Glycine 0 C--N 1.337 0.613 0 C-N-CA 120.791 -0.718 . . . . 0.0 113.033 179.822 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 81.4 t60 -81.19 -32.89 33.36 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 109.354 -0.61 . . . . 0.0 109.354 178.68 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 6.0 tp . . . . . 0 CA--C 1.535 0.365 0 CA-C-N 115.675 -0.693 . . . . 0.0 109.984 178.809 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.454 -0.225 0 CA-C-O 120.774 0.321 . . . . 0.0 110.324 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -80.11 -36.79 34.86 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.738 179.488 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 35.0 tp -75.12 -45.83 38.48 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.768 -0.651 . . . . 0.0 111.013 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.453 ' CG2' ' CZ ' ' A' ' 14' ' ' PHE . 59.8 mt -69.17 -33.8 60.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.646 -179.947 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -62.7 -28.77 70.17 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.107 178.666 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -73.02 -45.23 58.9 Favored 'General case' 0 C--N 1.331 -0.196 0 N-CA-C 109.716 -0.475 . . . . 0.0 109.716 179.427 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 71.9 t80 -66.17 -39.87 90.09 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.813 -0.63 . . . . 0.0 109.892 178.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . 0.453 ' CZ ' ' CG2' ' A' ' 10' ' ' ILE . 6.0 m-30 -70.5 -44.22 68.08 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.214 179.588 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 2.7 mmpt? -65.31 -48.16 74.06 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.343 179.249 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -60.14 -34.78 74.01 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.891 -0.595 . . . . 0.0 111.754 -179.719 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 40.4 p -69.46 -32.59 71.61 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.851 0.358 . . . . 0.0 110.277 179.637 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -76.95 -46.74 23.04 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.37 179.929 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 3.2 ptt? -83.77 -9.43 58.81 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 112.415 0.524 . . . . 0.0 112.415 -179.603 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 16.1 m-80 66.28 41.43 3.4 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.102 0.477 . . . . 0.0 110.348 -178.886 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.415 HD22 ' CD2' ' A' ' 25' ' ' PHE . 2.8 tt -57.48 159.9 4.56 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.676 -0.693 . . . . 0.0 110.422 179.843 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 30.4 t30 -42.16 137.17 1.99 Allowed 'General case' 0 N--CA 1.471 0.582 0 N-CA-C 112.121 0.415 . . . . 0.0 112.121 -179.711 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -55.21 -29.76 58.58 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.786 -179.322 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -66.2 -35.16 79.73 Favored 'General case' 0 C--N 1.327 -0.412 0 C-N-CA 120.948 -0.301 . . . . 0.0 111.152 -179.692 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . 0.415 ' CD2' HD22 ' A' ' 21' ' ' LEU . 2.6 t80 -74.38 -44.66 51.17 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 109.48 -0.563 . . . . 0.0 109.48 179.241 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 53.1 mt -61.61 -43.33 96.85 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 115.547 -0.751 . . . . 0.0 110.17 179.001 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -73.32 -34.07 65.5 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.07 0.462 . . . . 0.0 110.255 179.578 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -67.41 -46.47 73.12 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.054 179.5 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . 0.414 HD12 ' CD2' ' A' ' 25' ' ' PHE . 6.7 mt -68.86 -32.2 53.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.14 179.312 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -76.53 -32.95 58.56 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.152 179.249 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 49.6 m-20 -70.0 -28.09 65.23 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.889 -0.596 . . . . 0.0 111.005 179.808 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 8.3 tp10 -80.54 -46.73 15.31 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 109.411 -0.588 . . . . 0.0 109.411 179.219 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 44.1 mt -64.8 -32.81 59.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-N 115.286 -0.87 . . . . 0.0 109.704 178.604 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 14.9 mmtt -69.82 -44.97 68.88 Favored 'General case' 0 N--CA 1.455 -0.188 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.096 179.332 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 1.7 ttt-85 -70.94 -24.6 62.47 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.486 178.831 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 7.6 mtt180 -82.85 5.84 20.38 Favored 'General case' 0 CA--C 1.533 0.298 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.992 179.778 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 48.3 t 60.38 34.5 20.66 Favored 'General case' 0 C--O 1.232 0.158 0 CA-C-O 121.13 0.49 . . . . 0.0 110.331 -179.632 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 8.9 tp -123.04 16.87 10.02 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.717 -0.674 . . . . 0.0 111.609 -179.288 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -59.56 -25.62 61.13 Favored Glycine 0 C--N 1.336 0.54 0 C-N-CA 120.219 -0.991 . . . . 0.0 112.015 179.709 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 10.8 t60 -61.19 -26.54 67.79 Favored 'General case' 0 C--N 1.33 -0.256 0 O-C-N 122.543 -0.386 . . . . 0.0 110.533 179.065 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 6.1 tp . . . . . 0 CA--C 1.535 0.377 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.858 179.991 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.456 -0.148 0 CA-C-O 121.139 0.495 . . . . 0.0 109.99 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -78.61 -32.95 47.71 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.584 -0.735 . . . . 0.0 110.337 179.216 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 16.8 tp -75.12 -47.44 28.59 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.502 179.639 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.457 ' CG2' ' CZ ' ' A' ' 14' ' ' PHE . 49.8 mt -67.56 -40.48 84.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.412 179.827 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 27.9 mt-10 -58.9 -30.11 67.56 Favored 'General case' 0 C--O 1.22 -0.5 0 N-CA-C 109.952 -0.388 . . . . 0.0 109.952 178.519 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -67.7 -46.13 73.12 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.182 -0.463 . . . . 0.0 109.769 179.169 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 72.9 t80 -64.07 -41.05 97.48 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.151 179.069 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . 0.457 ' CZ ' ' CG2' ' A' ' 10' ' ' ILE . 7.3 m-30 -70.03 -49.02 55.5 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.393 -0.822 . . . . 0.0 111.053 -179.894 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . 0.411 ' HD2' ' N ' ' A' ' 15' ' ' LYS . 0.0 OUTLIER -59.92 -45.25 93.19 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.471 179.84 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -61.65 -37.47 84.17 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.921 -0.582 . . . . 0.0 112.117 -179.413 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 78.1 p -67.59 -32.17 72.72 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.885 0.374 . . . . 0.0 110.596 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -77.64 -46.42 22.08 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.501 -179.868 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 4.0 ptp -81.05 -15.28 56.5 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.969 -179.711 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 10.4 m-80 75.36 36.79 0.48 Allowed 'General case' 0 N--CA 1.464 0.231 0 CA-C-O 121.11 0.481 . . . . 0.0 110.122 -179.109 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.41 HD13 ' CD2' ' A' ' 25' ' ' PHE . 3.0 tt -56.83 158.43 4.76 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.686 -0.688 . . . . 0.0 110.431 179.944 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 35.0 t30 -42.54 134.8 2.98 Favored 'General case' 0 N--CA 1.471 0.579 0 N-CA-C 112.078 0.399 . . . . 0.0 112.078 -179.57 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -56.28 -27.97 57.15 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.771 -179.396 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 1.7 t0 -65.48 -36.99 85.53 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.817 0.341 . . . . 0.0 110.693 -179.842 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . 0.424 ' CD2' HD13 ' A' ' 29' ' ' ILE . 3.3 t80 -74.23 -42.7 59.29 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 109.209 -0.663 . . . . 0.0 109.209 178.918 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 72.1 mt -60.95 -45.47 98.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 115.341 -0.845 . . . . 0.0 110.098 178.834 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -73.53 -33.27 64.65 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.437 179.75 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -67.07 -46.84 73.09 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.088 179.468 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . 0.424 HD13 ' CD2' ' A' ' 25' ' ' PHE . 8.5 mt -68.87 -32.76 55.99 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.149 179.251 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -76.66 -32.13 57.75 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.277 179.296 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 6.8 m-20 -70.3 -28.69 65.38 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.046 -0.524 . . . . 0.0 111.06 179.808 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 16.5 tp10 -80.39 -45.74 17.19 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.271 0.558 . . . . 0.0 109.561 179.202 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 46.4 mt -64.03 -32.02 55.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-N 115.317 -0.856 . . . . 0.0 109.802 178.707 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 59.9 mttt -70.73 -47.32 60.35 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.135 179.305 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 10.4 ttt85 -70.67 -23.79 62.57 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.589 179.068 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 5.7 mtt180 -83.02 5.86 20.76 Favored 'General case' 0 CA--C 1.534 0.352 0 CA-C-N 116.341 -0.391 . . . . 0.0 112.05 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 8.6 t 60.91 34.38 19.55 Favored 'General case' 0 C--O 1.232 0.141 0 CA-C-O 121.039 0.447 . . . . 0.0 110.466 -179.796 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 9.0 tp -122.6 26.92 8.07 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.676 -0.693 . . . . 0.0 110.478 -179.656 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -70.61 -7.88 62.1 Favored Glycine 0 C--N 1.336 0.566 0 C-N-CA 121.082 -0.58 . . . . 0.0 113.146 179.889 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 39.4 p-80 -83.34 -31.53 26.75 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 117.281 0.541 . . . . 0.0 109.553 178.823 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 6.2 tp . . . . . 0 CA--C 1.533 0.296 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.046 179.161 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.454 -0.247 0 CA-C-O 120.773 0.321 . . . . 0.0 110.499 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -80.54 -36.95 32.38 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.24 179.776 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 20.3 tp -75.47 -36.93 60.56 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.426 -179.657 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.454 ' CG2' ' CZ ' ' A' ' 14' ' ' PHE . 73.0 mt -74.34 -40.07 49.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-O 120.682 0.277 . . . . 0.0 110.809 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -61.88 -27.99 69.18 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 110.082 -0.34 . . . . 0.0 110.082 178.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -74.54 -44.97 48.58 Favored 'General case' 0 N--CA 1.456 -0.153 0 CA-C-O 121.008 0.432 . . . . 0.0 109.954 179.429 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 64.0 t80 -66.88 -36.74 82.98 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.774 -0.648 . . . . 0.0 109.904 179.043 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . 0.454 ' CZ ' ' CG2' ' A' ' 10' ' ' ILE . 7.6 m-30 -75.42 -41.17 56.65 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.522 -0.763 . . . . 0.0 110.703 179.892 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -67.02 -47.8 70.32 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.69 179.473 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -65.34 -35.85 82.24 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.989 -0.551 . . . . 0.0 111.619 -179.549 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 11.6 p -67.39 -32.4 73.27 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.977 0.417 . . . . 0.0 110.544 179.88 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -74.68 -46.29 38.9 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.416 -179.759 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 3.9 ptt? -82.73 -14.13 55.1 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.124 -0.489 . . . . 0.0 112.178 -179.387 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 11.0 m-80 74.41 38.01 0.54 Allowed 'General case' 0 N--CA 1.464 0.228 0 CA-C-O 121.164 0.506 . . . . 0.0 109.912 -178.895 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 2.7 tt -53.73 159.66 1.56 Allowed 'General case' 0 CA--C 1.531 0.219 0 CA-C-N 115.566 -0.743 . . . . 0.0 110.738 -179.928 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 30.4 t-20 -40.64 137.38 1.16 Allowed 'General case' 0 N--CA 1.472 0.636 0 N-CA-C 112.388 0.514 . . . . 0.0 112.388 -179.744 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 3.7 tpt180 -56.58 -32.06 64.84 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.959 -0.564 . . . . 0.0 111.684 -179.376 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -65.97 -35.52 80.8 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.726 0.298 . . . . 0.0 111.14 -179.603 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 5.9 t80 -73.93 -45.49 50.14 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 179.146 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . 0.411 HG21 HD11 ' A' ' 26' ' ' ILE . 47.2 mt -60.94 -46.06 97.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 115.44 -0.8 . . . . 0.0 110.031 178.838 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -68.67 -32.95 73.15 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.014 0.435 . . . . 0.0 110.166 179.302 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -68.03 -46.09 72.17 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.08 179.424 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 7.2 mt -69.91 -32.31 51.23 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.369 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.039 179.103 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 12.6 tt0 -76.88 -32.58 57.56 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.455 179.29 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 14.3 m-20 -69.37 -31.9 70.59 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.053 -179.83 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -79.28 -45.81 18.99 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 109.325 -0.62 . . . . 0.0 109.325 179.199 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 86.0 mt -62.06 -31.94 52.89 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 115.43 -0.804 . . . . 0.0 109.736 178.549 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 21.1 mttt -71.54 -49.33 41.85 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.512 179.617 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -70.51 -24.14 62.78 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.794 179.313 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 5.0 mtt-85 -82.98 6.23 19.42 Favored 'General case' 0 CA--C 1.533 0.306 0 N-CA-C 112.154 0.427 . . . . 0.0 112.154 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 3.4 t 61.71 31.91 18.46 Favored 'General case' 0 C--O 1.232 0.148 0 CA-C-O 121.072 0.463 . . . . 0.0 110.23 -179.56 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 5.3 tp -117.95 21.27 12.93 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.603 -0.726 . . . . 0.0 110.78 -179.862 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -73.39 -4.73 65.29 Favored Glycine 0 C--N 1.337 0.628 0 C-N-CA 120.88 -0.676 . . . . 0.0 113.183 179.905 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 74.6 t60 -88.55 -31.4 18.68 Favored 'General case' 0 N--CA 1.455 -0.196 0 CA-C-N 117.292 0.546 . . . . 0.0 110.401 179.599 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 5.2 tp . . . . . 0 CA--C 1.533 0.289 0 CA-C-O 121.596 0.712 . . . . 0.0 109.368 179.517 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 . . . . . 0 N--CA 1.454 -0.231 0 CA-C-O 120.913 0.387 . . . . 0.0 110.247 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -80.68 -36.31 32.53 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.844 179.489 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 26.7 tp -75.14 -44.08 48.96 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.889 179.927 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.458 ' CG2' ' CZ ' ' A' ' 14' ' ' PHE . 66.2 mt -70.59 -34.39 57.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.486 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 29.6 mt-10 -62.63 -28.67 70.07 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.082 178.827 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 2.0 m -72.87 -46.45 52.8 Favored 'General case' 0 C--N 1.331 -0.215 0 N-CA-C 109.692 -0.485 . . . . 0.0 109.692 179.302 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . 0.419 ' CE1' ' HB2' ' A' ' 30' ' ' GLU . 63.2 t80 -64.58 -39.51 93.88 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.935 -0.575 . . . . 0.0 109.895 178.842 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . 0.458 ' CZ ' ' CG2' ' A' ' 10' ' ' ILE . 5.7 m-30 -70.43 -45.42 65.87 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.246 179.6 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 2.1 mmpt? -65.51 -47.6 75.44 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.448 179.463 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -61.88 -34.87 76.8 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.82 -0.627 . . . . 0.0 111.654 -179.637 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 20.7 p -69.16 -32.59 72.03 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.873 0.368 . . . . 0.0 110.378 179.705 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 -75.5 -45.86 35.81 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.059 -0.518 . . . . 0.0 111.476 -179.874 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 3.5 ptt? -82.93 -14.73 53.6 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.036 -0.529 . . . . 0.0 112.127 -179.476 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 9.8 m120 74.46 39.45 0.46 Allowed 'General case' 0 N--CA 1.462 0.17 0 CA-C-O 121.249 0.547 . . . . 0.0 110.119 -178.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 3.1 tt -55.82 158.44 3.68 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 115.537 -0.756 . . . . 0.0 110.505 -179.919 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 42.0 t-20 -41.7 132.99 2.83 Favored 'General case' 0 N--CA 1.471 0.591 0 N-CA-C 112.137 0.421 . . . . 0.0 112.137 -179.752 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 18.5 tpt180 -53.19 -29.46 32.08 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.973 -0.558 . . . . 0.0 111.974 -179.249 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -67.11 -36.09 81.16 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.77 0.319 . . . . 0.0 111.047 -179.787 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . 0.409 ' CD2' HD11 ' A' ' 29' ' ' ILE . 7.7 t80 -74.26 -43.42 57.0 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 109.237 -0.653 . . . . 0.0 109.237 179.111 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 56.7 mt -61.9 -47.32 93.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 115.464 -0.789 . . . . 0.0 109.896 178.872 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -68.82 -31.18 69.98 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.979 0.419 . . . . 0.0 110.352 179.407 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -68.74 -46.85 67.78 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.009 179.538 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . 0.409 HD11 ' CD2' ' A' ' 25' ' ' PHE . 9.0 mt -70.17 -31.93 49.12 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-O 120.972 0.415 . . . . 0.0 110.019 179.148 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . 0.419 ' HB2' ' CE1' ' A' ' 13' ' ' TYR . 11.1 tt0 -76.75 -33.28 58.12 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.183 179.156 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 17.1 m-20 -69.09 -29.88 68.06 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.982 179.884 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 8.1 tp10 -80.17 -45.37 18.22 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.249 0.547 . . . . 0.0 109.541 179.204 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 73.5 mt -64.42 -33.48 63.14 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-N 115.385 -0.825 . . . . 0.0 109.62 178.71 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 11.1 mttt -68.19 -47.27 68.39 Favored 'General case' 0 N--CA 1.454 -0.227 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.017 179.388 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 25.8 ttt180 -70.54 -25.51 63.14 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.708 179.291 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 28.8 mtt180 -79.41 1.91 23.67 Favored 'General case' 0 CA--C 1.534 0.339 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.89 179.677 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 8.5 t 61.39 34.28 18.37 Favored 'General case' 0 C--O 1.231 0.128 0 CA-C-O 121.023 0.44 . . . . 0.0 110.034 -179.315 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 9.5 tp -123.17 18.12 9.94 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.631 -0.713 . . . . 0.0 111.201 -179.501 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -59.31 -28.8 64.99 Favored Glycine 0 C--N 1.335 0.526 0 C-N-CA 120.526 -0.845 . . . . 0.0 111.903 179.35 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 20.3 p-80 -58.9 -27.75 65.53 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.875 0.369 . . . . 0.0 110.441 179.175 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 6.1 tp . . . . . 0 CA--C 1.532 0.281 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.231 179.618 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 . . . . . 0 N--CA 1.455 -0.22 0 CA-C-O 120.759 0.314 . . . . 0.0 110.384 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -82.16 -36.77 27.05 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.974 -0.557 . . . . 0.0 111.178 179.515 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 17.0 tp -75.25 -37.2 61.1 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.381 -179.761 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.458 ' CG2' ' CZ ' ' A' ' 14' ' ' PHE . 62.4 mt -74.91 -40.25 45.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.462 179.911 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -61.31 -28.33 69.12 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.127 178.907 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 1.7 t -74.22 -44.26 53.86 Favored 'General case' 0 CA--C 1.52 -0.174 0 N-CA-C 109.773 -0.455 . . . . 0.0 109.773 179.249 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 80.9 t80 -67.74 -39.22 84.26 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.711 -0.677 . . . . 0.0 109.815 179.057 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . 0.458 ' CZ ' ' CG2' ' A' ' 10' ' ' ILE . 10.1 m-30 -72.81 -40.5 65.77 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.531 -0.759 . . . . 0.0 110.595 179.819 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 3.0 mmpt? -66.36 -48.52 69.94 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.407 179.264 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -59.07 -35.7 73.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.825 -0.625 . . . . 0.0 111.632 -179.647 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 68.4 p -70.02 -32.47 70.64 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.882 0.373 . . . . 0.0 110.351 179.661 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -77.41 -44.76 28.06 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.408 -179.802 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 4.0 ptp -83.92 -15.5 47.73 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 112.217 0.451 . . . . 0.0 112.217 -179.356 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 17.4 m-20 74.84 37.69 0.5 Allowed 'General case' 0 N--CA 1.463 0.186 0 CA-C-O 121.135 0.493 . . . . 0.0 110.092 -178.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 3.0 tt -56.37 158.64 4.12 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 115.556 -0.747 . . . . 0.0 110.652 -179.893 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 37.8 t-20 -43.22 136.69 2.86 Favored 'General case' 0 N--CA 1.469 0.501 0 N-CA-C 112.105 0.409 . . . . 0.0 112.105 -179.681 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 10.7 tpt180 -56.72 -31.11 64.18 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.953 -0.567 . . . . 0.0 111.57 -179.462 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 52.4 m-20 -64.46 -35.12 79.89 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 120.77 0.319 . . . . 0.0 110.964 -179.62 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . 0.409 ' CD2' HD13 ' A' ' 29' ' ' ILE . 6.4 t80 -74.54 -43.73 54.45 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 109.291 -0.633 . . . . 0.0 109.291 179.04 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . 0.424 HD13 HG22 ' A' ' 26' ' ' ILE . 53.8 mt -60.37 -46.27 95.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 115.559 -0.746 . . . . 0.0 110.117 178.893 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -68.27 -33.33 74.16 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.136 0.493 . . . . 0.0 110.235 179.375 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -68.51 -46.12 70.45 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.689 -0.687 . . . . 0.0 110.175 179.615 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . 0.409 HD13 ' CD2' ' A' ' 25' ' ' PHE . 8.4 mt -69.65 -32.7 53.46 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.313 -0.403 . . . . 0.0 109.96 179.183 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 9.1 tt0 -77.16 -32.25 56.13 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.557 179.405 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -70.1 -30.08 67.2 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.14 -179.905 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 3.6 tp10 -80.36 -45.05 18.42 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 109.627 -0.508 . . . . 0.0 109.627 179.273 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 64.3 mt -63.23 -31.84 54.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-N 115.482 -0.781 . . . . 0.0 109.755 178.727 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 24.9 mttt -71.32 -49.17 45.32 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.66 179.707 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -70.61 -23.55 62.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.822 179.291 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 13.1 mtt180 -82.82 5.56 21.18 Favored 'General case' 0 CA--C 1.533 0.311 0 N-CA-C 112.16 0.43 . . . . 0.0 112.16 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 4.5 t 61.51 33.88 18.26 Favored 'General case' 0 C--O 1.231 0.094 0 CA-C-O 121.133 0.492 . . . . 0.0 110.185 -179.502 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 12.8 tp -117.64 3.85 12.36 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.443 -0.798 . . . . 0.0 111.599 -179.622 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -56.65 -24.36 47.45 Favored Glycine 0 C--N 1.34 0.806 0 C-N-CA 120.485 -0.864 . . . . 0.0 112.372 179.88 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 18.0 t60 -62.8 -17.41 61.16 Favored 'General case' 0 C--N 1.329 -0.304 0 O-C-N 122.628 -0.336 . . . . 0.0 111.28 179.393 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.406 HG12 ' CD1' ' A' ' 10' ' ' ILE . 5.8 tp . . . . . 0 CA--C 1.533 0.305 0 CA-C-O 121.236 0.541 . . . . 0.0 110.716 -179.444 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 . . . . . 0 N--CA 1.455 -0.217 0 CA-C-O 120.898 0.38 . . . . 0.0 110.319 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -80.1 -36.2 35.75 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.762 179.529 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 27.3 tp -74.98 -45.37 42.55 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.903 -0.589 . . . . 0.0 110.87 179.902 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.456 ' CG2' ' CZ ' ' A' ' 14' ' ' PHE . 60.2 mt -69.27 -35.82 69.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.598 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 24.5 mt-10 -62.2 -28.86 69.97 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 109.992 -0.373 . . . . 0.0 109.992 178.53 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 2.0 m -70.66 -45.28 65.41 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 121.122 0.487 . . . . 0.0 109.806 179.245 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . 0.412 ' CE1' ' HB2' ' A' ' 30' ' ' GLU . 78.4 t80 -65.33 -40.6 93.9 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.743 -0.662 . . . . 0.0 109.953 179.083 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . 0.456 ' CZ ' ' CG2' ' A' ' 10' ' ' ILE . 10.2 m-30 -69.66 -45.86 67.44 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.584 -0.734 . . . . 0.0 110.64 179.751 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -63.76 -45.48 89.61 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.583 179.518 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -62.19 -35.75 79.8 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.769 -179.612 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 59.9 p -68.79 -32.34 71.99 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 120.915 0.388 . . . . 0.0 110.509 179.796 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -77.2 -45.07 27.84 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.551 -179.774 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 3.9 ptt? -83.45 -15.78 48.27 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 112.144 0.424 . . . . 0.0 112.144 -179.42 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 11.9 m-80 75.04 37.22 0.49 Allowed 'General case' 0 N--CA 1.463 0.207 0 CA-C-O 121.117 0.484 . . . . 0.0 109.939 -178.938 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 2.7 tt -55.05 160.13 2.17 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.57 -0.741 . . . . 0.0 110.718 -179.927 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 30.8 t-20 -42.52 134.22 3.13 Favored 'General case' 0 N--CA 1.47 0.558 0 CA-C-O 120.982 0.42 . . . . 0.0 112.079 -179.661 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 3.8 tpt180 -54.98 -27.04 40.9 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.964 -0.562 . . . . 0.0 111.893 -179.355 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -68.14 -35.73 78.54 Favored 'General case' 0 C--N 1.327 -0.395 0 C-N-CA 121.005 -0.278 . . . . 0.0 111.02 -179.717 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 3.3 t80 -75.23 -42.78 54.55 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 109.416 -0.587 . . . . 0.0 109.416 179.225 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . 0.461 HD13 HG23 ' A' ' 26' ' ' ILE . 56.2 mt -60.92 -43.01 94.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 115.577 -0.738 . . . . 0.0 109.985 178.858 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -74.99 -32.99 61.8 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.349 179.573 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -67.87 -46.16 72.48 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.76 -0.655 . . . . 0.0 110.223 179.696 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 8.7 mt -69.35 -32.44 53.4 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.197 179.302 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . 0.412 ' HB2' ' CE1' ' A' ' 13' ' ' TYR . 1.1 tt0 -76.63 -32.43 58.02 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.96 -0.563 . . . . 0.0 110.207 179.231 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 51.6 m-20 -70.55 -28.44 64.91 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.928 -0.578 . . . . 0.0 111.057 179.857 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 6.8 tt0 -80.5 -46.82 15.22 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 109.436 -0.579 . . . . 0.0 109.436 179.157 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 50.9 mt -64.04 -31.96 55.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-N 115.35 -0.841 . . . . 0.0 109.692 178.641 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 19.8 mmtt -70.57 -47.44 60.23 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.216 179.275 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -69.67 -23.46 63.46 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.573 178.919 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 6.7 mtp180 -83.37 6.17 20.88 Favored 'General case' 0 CA--C 1.533 0.304 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.948 179.827 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 3.3 t 60.91 34.15 19.63 Favored 'General case' 0 C--O 1.23 0.077 0 CA-C-O 121.075 0.464 . . . . 0.0 110.368 -179.661 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 9.0 tp -123.2 15.19 9.8 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.658 -0.701 . . . . 0.0 111.664 -179.383 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -58.83 -25.93 59.77 Favored Glycine 0 C--N 1.338 0.648 0 C-N-CA 120.183 -1.008 . . . . 0.0 111.96 179.551 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 9.9 p-80 -60.76 -24.48 65.78 Favored 'General case' 0 C--N 1.328 -0.338 0 O-C-N 122.585 -0.362 . . . . 0.0 110.526 178.916 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 6.2 tp . . . . . 0 CA--C 1.534 0.364 0 CA-C-O 121.059 0.457 . . . . 0.0 110.863 179.949 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 . . . . . 0 N--CA 1.456 -0.156 0 CA-C-O 120.855 0.36 . . . . 0.0 110.381 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -80.99 -34.46 32.95 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.872 -0.603 . . . . 0.0 110.668 179.482 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 20.2 tp -75.18 -43.71 50.69 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.877 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.45 ' CG2' ' CZ ' ' A' ' 14' ' ' PHE . 60.4 mt -71.58 -34.4 52.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.53 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -63.69 -28.66 70.05 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.174 178.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 77.6 p -74.67 -43.03 57.3 Favored 'General case' 0 C--N 1.331 -0.2 0 N-CA-C 109.722 -0.473 . . . . 0.0 109.722 179.389 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 74.7 t80 -66.53 -38.83 87.99 Favored 'General case' 0 C--N 1.331 -0.211 0 N-CA-C 109.558 -0.534 . . . . 0.0 109.558 178.749 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . 0.45 ' CZ ' ' CG2' ' A' ' 10' ' ' ILE . 6.4 m-30 -72.0 -46.85 55.7 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.522 -0.763 . . . . 0.0 110.309 179.704 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 2.8 mmpt? -64.11 -45.1 90.12 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.408 179.337 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -63.15 -38.18 90.15 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.773 -0.648 . . . . 0.0 111.672 -179.627 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 24.7 p -66.17 -32.48 73.94 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.859 0.361 . . . . 0.0 110.555 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 5.0 mt-10 -75.35 -46.33 33.8 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.508 -179.718 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 3.7 ptt? -82.1 -14.19 56.13 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.217 -0.447 . . . . 0.0 112.187 -179.436 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 1.2 m-20 74.56 39.43 0.45 Allowed 'General case' 0 N--CA 1.461 0.123 0 CA-C-O 121.197 0.523 . . . . 0.0 110.084 -178.839 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 2.8 tt -55.57 159.3 2.96 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 115.479 -0.782 . . . . 0.0 110.448 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 50.0 t30 -42.14 132.52 3.27 Favored 'General case' 0 N--CA 1.471 0.599 0 N-CA-C 112.088 0.403 . . . . 0.0 112.088 -179.757 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 2.2 tpp180 -54.62 -27.14 37.36 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.956 -0.565 . . . . 0.0 111.836 -179.342 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 1.4 t0 -68.8 -37.03 78.96 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.738 0.304 . . . . 0.0 110.952 -179.86 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . 0.417 ' CD2' HD13 ' A' ' 29' ' ' ILE . 5.9 t80 -74.99 -41.54 59.3 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 109.5 -0.555 . . . . 0.0 109.5 179.219 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . 0.46 HD12 HG23 ' A' ' 26' ' ' ILE . 59.3 mt -62.18 -42.89 96.9 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 115.561 -0.745 . . . . 0.0 109.955 178.929 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -73.51 -33.43 64.77 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.005 0.431 . . . . 0.0 110.199 179.296 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -65.51 -47.71 75.04 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.727 -0.669 . . . . 0.0 109.982 179.367 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . 0.417 HD13 ' CD2' ' A' ' 25' ' ' PHE . 7.3 mt -68.13 -32.11 54.62 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.376 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.207 179.248 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -75.96 -33.31 59.78 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.087 179.22 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 52.6 m-20 -68.2 -29.14 67.92 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.872 -0.603 . . . . 0.0 110.949 179.69 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -80.46 -47.17 14.72 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 109.464 -0.569 . . . . 0.0 109.464 179.077 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 48.5 mt -63.66 -31.96 55.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-N 115.307 -0.86 . . . . 0.0 109.654 178.632 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 14.3 mttt -71.51 -47.67 53.81 Favored 'General case' 0 N--CA 1.455 -0.189 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.217 179.462 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 6.2 ttt180 -71.0 -23.44 62.19 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.683 178.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 78.6 mtt180 -83.03 5.46 22.19 Favored 'General case' 0 CA--C 1.534 0.351 0 CA-C-N 116.33 -0.396 . . . . 0.0 111.937 179.876 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 47.7 t 61.42 35.12 17.91 Favored 'General case' 0 C--O 1.231 0.098 0 CA-C-O 121.083 0.468 . . . . 0.0 110.407 -179.922 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 8.2 tp -123.14 25.17 8.58 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.725 -0.671 . . . . 0.0 110.687 -179.592 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -69.02 -9.56 60.18 Favored Glycine 0 C--N 1.336 0.572 0 C-N-CA 120.982 -0.627 . . . . 0.0 112.963 179.815 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -81.7 -29.15 33.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 117.363 0.582 . . . . 0.0 109.889 178.944 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 6.2 tp . . . . . 0 CA--C 1.533 0.303 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.207 179.316 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 . . . . . 0 N--CA 1.455 -0.204 0 CA-C-O 120.856 0.36 . . . . 0.0 110.378 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -82.25 -37.48 25.86 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.046 179.576 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 18.8 tp -75.22 -37.54 61.06 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.223 -179.816 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.46 ' CG2' ' CZ ' ' A' ' 14' ' ' PHE . 62.8 mt -75.83 -37.35 34.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-O 120.837 0.351 . . . . 0.0 110.326 179.8 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 32.1 mt-10 -62.22 -29.2 70.22 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.211 178.921 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 95.7 p -74.71 -43.76 53.43 Favored 'General case' 0 C--N 1.331 -0.214 0 N-CA-C 109.826 -0.435 . . . . 0.0 109.826 179.26 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 59.8 t80 -68.19 -37.78 81.29 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.823 -0.626 . . . . 0.0 109.857 178.945 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . 0.46 ' CZ ' ' CG2' ' A' ' 10' ' ' ILE . 8.1 m-30 -73.92 -41.37 62.17 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.698 -0.683 . . . . 0.0 110.481 179.835 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 1.5 mmpt? -64.94 -48.68 73.22 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.649 179.323 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -64.18 -35.21 80.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.935 -0.575 . . . . 0.0 111.759 -179.493 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 16.2 p -66.21 -32.71 74.3 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.895 0.379 . . . . 0.0 110.512 179.791 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -74.86 -48.69 23.64 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.298 -179.884 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 3.7 ptt? -80.35 -12.02 59.64 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.032 -0.531 . . . . 0.0 112.359 -179.472 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER 72.51 42.34 0.53 Allowed 'General case' 0 N--CA 1.463 0.224 0 CA-C-O 121.22 0.533 . . . . 0.0 109.966 -179.004 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.418 HD13 ' CD2' ' A' ' 25' ' ' PHE . 2.9 tt -57.11 158.3 5.26 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.499 -0.773 . . . . 0.0 110.52 -179.894 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 61.8 t30 -42.97 136.66 2.65 Favored 'General case' 0 N--CA 1.471 0.587 0 N-CA-C 112.159 0.429 . . . . 0.0 112.159 -179.645 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.81 -32.02 63.18 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.966 -0.561 . . . . 0.0 111.823 -179.354 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -65.32 -35.59 81.46 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.718 0.294 . . . . 0.0 111.202 -179.51 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . 0.44 ' CD2' ' CD1' ' A' ' 29' ' ' ILE . 8.3 t80 -74.79 -44.53 49.05 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 109.263 -0.643 . . . . 0.0 109.263 179.184 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 52.5 mt -61.07 -46.14 97.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 115.527 -0.76 . . . . 0.0 110.092 178.851 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 5.2 tt0 -69.22 -32.64 72.02 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.999 0.428 . . . . 0.0 110.07 179.303 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -66.92 -46.99 73.1 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.706 -0.679 . . . . 0.0 109.812 179.223 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . 0.44 ' CD1' ' CD2' ' A' ' 25' ' ' PHE . 8.8 mt -68.81 -32.13 53.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.014 179.085 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 8.7 tt0 -76.45 -32.25 58.32 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.311 179.321 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 53.4 m-20 -67.54 -34.74 77.7 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.891 179.79 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 7.2 tt0 -77.03 -46.06 25.04 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 109.353 -0.61 . . . . 0.0 109.353 179.146 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 85.2 mt -61.2 -31.93 51.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 115.381 -0.827 . . . . 0.0 109.691 178.599 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 11.2 mttt -71.79 -49.41 39.07 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.452 179.647 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.75 -24.22 62.57 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.627 179.377 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -83.11 5.89 21.0 Favored 'General case' 0 CA--C 1.532 0.276 0 N-CA-C 112.159 0.429 . . . . 0.0 112.159 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 23.1 t 61.88 32.75 17.89 Favored 'General case' 0 C--O 1.231 0.11 0 CA-C-O 121.23 0.538 . . . . 0.0 110.285 -179.415 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 3.5 tp -120.87 17.25 11.81 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.523 -0.762 . . . . 0.0 110.995 -179.783 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -71.36 -7.31 63.6 Favored Glycine 0 C--N 1.337 0.625 0 C-N-CA 120.567 -0.825 . . . . 0.0 112.807 179.524 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 2.7 p-80 -81.26 -29.38 34.4 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 117.238 0.519 . . . . 0.0 110.247 179.348 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 5.6 tp . . . . . 0 CA--C 1.534 0.331 0 CA-C-O 121.423 0.63 . . . . 0.0 110.014 179.823 . . . . . . . . 0 0 . 1 . 021 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 . . . . . 0 N--CA 1.454 -0.246 0 CA-C-O 120.912 0.387 . . . . 0.0 110.289 . . . . . . . . . 0 0 . 1 . 021 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -81.76 -34.43 30.42 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.504 179.332 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 38.8 tp -75.44 -45.55 38.02 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.918 179.738 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.457 ' CG2' ' CZ ' ' A' ' 14' ' ' PHE . 86.7 mt -68.93 -37.82 77.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.832 -179.808 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -60.91 -28.69 69.11 Favored 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 109.798 -0.445 . . . . 0.0 109.798 178.35 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 13.5 m -68.82 -47.65 65.52 Favored 'General case' 0 N--CA 1.455 -0.177 0 CA-C-O 121.069 0.461 . . . . 0.0 109.855 179.21 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 67.8 t80 -64.61 -36.25 83.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.353 179.212 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . 0.457 ' CZ ' ' CG2' ' A' ' 10' ' ' ILE . 6.9 m-30 -74.61 -41.92 59.58 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.571 -0.741 . . . . 0.0 110.525 -179.955 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 1.8 mtpt -67.05 -52.8 37.69 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.158 179.296 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -59.44 -30.82 68.77 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.795 -0.639 . . . . 0.0 111.552 -179.905 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 5.3 p -71.86 -32.35 67.4 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 109.92 -0.4 . . . . 0.0 109.92 179.259 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 13.3 mt-10 -76.91 -51.63 10.86 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.943 -0.571 . . . . 0.0 111.088 179.49 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -77.72 -15.78 58.9 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.971 -179.92 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 11.4 m120 73.32 42.89 0.4 Allowed 'General case' 0 N--CA 1.464 0.258 0 CA-C-O 121.17 0.509 . . . . 0.0 110.387 -179.477 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 2.6 tt -58.67 159.31 6.79 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.747 -0.66 . . . . 0.0 110.428 179.932 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 39.2 t-20 -40.9 138.16 1.09 Allowed 'General case' 0 N--CA 1.472 0.631 0 N-CA-C 112.3 0.481 . . . . 0.0 112.3 -179.613 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 3.3 ttt180 -55.21 -30.71 60.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.844 -0.616 . . . . 0.0 111.876 -179.338 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 43.3 m-20 -66.18 -33.91 76.84 Favored 'General case' 0 C--N 1.326 -0.431 0 C-N-CA 121.009 -0.277 . . . . 0.0 111.106 -179.523 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . 0.425 ' CD2' HD12 ' A' ' 29' ' ' ILE . 2.5 t80 -75.39 -45.12 41.07 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 109.518 -0.549 . . . . 0.0 109.518 179.289 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 45.7 mt -61.71 -42.53 94.69 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 115.562 -0.745 . . . . 0.0 110.029 178.989 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -73.59 -33.54 64.66 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.228 179.514 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -67.32 -46.73 72.62 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.782 -0.645 . . . . 0.0 110.075 179.572 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . 0.425 HD12 ' CD2' ' A' ' 25' ' ' PHE . 10.9 mt -68.9 -32.53 55.01 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.055 179.08 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -76.51 -33.18 58.62 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.326 179.338 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 13.2 m-20 -69.7 -28.5 65.89 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.895 -0.593 . . . . 0.0 111.122 179.991 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 20.0 tp10 -80.73 -46.74 15.01 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 109.424 -0.584 . . . . 0.0 109.424 179.236 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 46.8 mt -64.56 -32.59 58.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-N 115.355 -0.839 . . . . 0.0 109.71 178.699 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 16.9 mmtt -69.56 -45.25 69.14 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.237 179.436 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.85 -24.04 62.44 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.477 178.729 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 3.4 mtt-85 -83.78 7.1 18.91 Favored 'General case' 0 CA--C 1.534 0.355 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.961 179.888 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 10.3 t 58.78 34.6 23.84 Favored 'General case' 0 C--O 1.232 0.147 0 CA-C-O 120.961 0.41 . . . . 0.0 110.488 -179.639 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 8.6 tp -122.88 15.47 10.06 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.753 -0.658 . . . . 0.0 111.514 -179.457 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -59.23 -24.57 59.0 Favored Glycine 0 C--N 1.339 0.726 0 C-N-CA 120.313 -0.946 . . . . 0.0 112.062 179.682 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 32.2 p-80 -62.58 -26.69 68.73 Favored 'General case' 0 C--N 1.327 -0.388 0 O-C-N 122.46 -0.435 . . . . 0.0 110.392 179.034 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.4 HG12 ' CD1' ' A' ' 10' ' ' ILE . 5.6 tp . . . . . 0 CA--C 1.536 0.439 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.769 179.96 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.454 -0.251 0 CA-C-O 120.898 0.38 . . . . 0.0 110.349 . . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -79.35 -37.35 37.68 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.901 -0.59 . . . . 0.0 110.824 179.533 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 36.5 tp -75.15 -45.26 41.99 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.848 -0.615 . . . . 0.0 111.155 -179.88 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.452 ' CG2' ' CZ ' ' A' ' 14' ' ' PHE . 72.4 mt -69.19 -34.35 62.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.678 -179.987 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -62.3 -28.81 69.99 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.146 178.645 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -72.9 -45.83 56.01 Favored 'General case' 0 C--N 1.331 -0.231 0 N-CA-C 109.8 -0.444 . . . . 0.0 109.8 179.45 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . 0.42 ' CE1' ' HB2' ' A' ' 30' ' ' GLU . 63.0 t80 -65.73 -37.97 87.86 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.929 -0.578 . . . . 0.0 109.994 178.975 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . 0.452 ' CZ ' ' CG2' ' A' ' 10' ' ' ILE . 8.1 m-30 -72.6 -42.73 64.19 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.676 -0.693 . . . . 0.0 110.455 179.699 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 5.9 mmpt? -66.92 -47.73 70.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.341 179.175 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -59.48 -35.12 73.5 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.85 -0.614 . . . . 0.0 111.551 -179.855 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 35.7 p -70.24 -32.45 70.31 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.904 0.383 . . . . 0.0 110.41 179.691 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -78.2 -44.59 25.31 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.959 -0.564 . . . . 0.0 111.581 -179.86 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 3.9 ptt? -83.61 -16.02 46.8 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 112.185 0.439 . . . . 0.0 112.185 -179.396 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 9.9 m-80 75.16 36.05 0.55 Allowed 'General case' 0 N--CA 1.464 0.241 0 CA-C-O 121.154 0.502 . . . . 0.0 110.033 -178.986 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 2.9 tt -55.36 160.03 2.46 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.533 -0.758 . . . . 0.0 110.622 -179.995 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 52.8 t30 -42.93 133.58 3.62 Favored 'General case' 0 N--CA 1.469 0.479 0 CA-C-O 120.948 0.404 . . . . 0.0 112.062 -179.788 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 13.4 tpp180 -55.08 -24.98 28.17 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.854 -179.375 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 17.2 m-20 -68.45 -35.98 78.36 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.709 0.29 . . . . 0.0 111.047 -179.72 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . 0.419 ' CD2' HD12 ' A' ' 29' ' ' ILE . 2.4 t80 -75.38 -41.78 55.51 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 109.464 -0.569 . . . . 0.0 109.464 179.18 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 57.1 mt -61.66 -44.56 98.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 115.62 -0.718 . . . . 0.0 109.846 178.775 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 5.3 tt0 -72.53 -33.4 66.84 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.21 179.37 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -67.13 -46.15 74.98 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.745 -0.662 . . . . 0.0 110.148 179.474 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . 0.419 HD12 ' CD2' ' A' ' 25' ' ' PHE . 5.8 mt -69.16 -32.41 53.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-O 120.943 0.402 . . . . 0.0 110.143 179.144 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . 0.42 ' HB2' ' CE1' ' A' ' 13' ' ' TYR . 3.3 tt0 -76.81 -32.68 57.78 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.378 179.2 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 4.7 m-20 -69.06 -30.95 69.39 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.862 179.967 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 15.5 tp10 -79.88 -45.23 19.01 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 109.415 -0.587 . . . . 0.0 109.415 179.157 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 71.0 mt -63.99 -35.16 72.58 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-N 115.381 -0.827 . . . . 0.0 109.445 178.565 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 20.6 mttt -66.35 -47.2 74.2 Favored 'General case' 0 N--CA 1.453 -0.311 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.052 179.607 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.02 -25.01 62.48 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.669 179.18 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -80.92 3.09 23.96 Favored 'General case' 0 CA--C 1.532 0.266 0 CA-C-N 116.344 -0.389 . . . . 0.0 112.001 179.896 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 9.0 t 61.6 33.55 18.19 Favored 'General case' 0 CA--C 1.523 -0.074 0 CA-C-O 121.062 0.458 . . . . 0.0 110.333 -179.619 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.401 ' CD2' HD11 ' A' ' 10' ' ' ILE . 8.2 tp -123.15 18.95 9.95 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.722 -0.672 . . . . 0.0 111.084 -179.663 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -60.22 -29.54 68.85 Favored Glycine 0 C--N 1.336 0.528 0 C-N-CA 120.619 -0.8 . . . . 0.0 111.741 179.22 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 3.1 p-80 -57.84 -28.31 63.99 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.872 0.368 . . . . 0.0 110.521 179.193 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 5.9 tp . . . . . 0 CA--C 1.534 0.36 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.334 179.645 . . . . . . . . 0 0 . 1 . 023 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.456 -0.133 0 CA-C-O 120.809 0.337 . . . . 0.0 110.425 . . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -81.77 -33.69 30.78 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.599 179.472 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 11.6 tp -75.27 -45.31 40.78 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.736 -0.665 . . . . 0.0 110.62 179.77 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.45 ' CG2' ' CZ ' ' A' ' 14' ' ' PHE . 54.7 mt -70.29 -34.06 56.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.339 179.881 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 16.5 mm-40 -62.64 -28.51 69.96 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.17 178.627 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 3.7 m -73.26 -46.84 47.64 Favored 'General case' 0 C--N 1.331 -0.198 0 N-CA-C 109.669 -0.493 . . . . 0.0 109.669 179.182 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . 0.417 ' CE1' ' HB2' ' A' ' 30' ' ' GLU . 58.1 t80 -63.51 -38.3 90.59 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.815 -0.63 . . . . 0.0 109.831 178.899 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . 0.45 ' CZ ' ' CG2' ' A' ' 10' ' ' ILE . 6.0 m-30 -73.06 -46.34 52.26 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.574 -0.739 . . . . 0.0 110.335 179.736 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 10.3 mmtt -64.91 -43.61 92.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.844 -0.617 . . . . 0.0 110.496 179.369 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -63.04 -37.0 85.45 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.805 -0.634 . . . . 0.0 111.595 -179.626 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 39.5 p -67.78 -32.48 73.09 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.904 0.383 . . . . 0.0 110.359 179.707 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -75.07 -46.59 33.71 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.483 -179.874 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 3.8 ptt? -82.4 -14.73 54.72 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.161 -0.472 . . . . 0.0 112.175 -179.461 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 4.3 m120 74.98 39.06 0.41 Allowed 'General case' 0 N--CA 1.463 0.184 0 CA-C-O 121.165 0.507 . . . . 0.0 110.002 -178.885 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 3.2 tt -56.61 158.0 4.85 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.513 -0.767 . . . . 0.0 110.608 -179.855 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 19.1 t-20 -42.88 133.5 3.61 Favored 'General case' 0 N--CA 1.469 0.523 0 CA-C-O 120.939 0.4 . . . . 0.0 112.038 -179.837 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -54.64 -27.77 42.12 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.949 -0.569 . . . . 0.0 111.798 -179.419 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 1.2 t0 -66.24 -37.97 86.77 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 120.702 0.286 . . . . 0.0 111.005 -179.602 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . 0.409 ' CD2' HD13 ' A' ' 29' ' ' ILE . 2.6 t80 -74.83 -40.6 60.96 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 109.317 -0.623 . . . . 0.0 109.317 179.161 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 58.4 mt -62.58 -46.03 97.37 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-N 115.549 -0.751 . . . . 0.0 109.808 178.82 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 4.6 tt0 -70.83 -32.75 69.9 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.23 179.425 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -67.69 -46.68 71.6 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.059 179.524 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . 0.409 HD13 ' CD2' ' A' ' 25' ' ' PHE . 6.0 mt -69.44 -32.29 52.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.012 179.161 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . 0.417 ' HB2' ' CE1' ' A' ' 13' ' ' TYR . 5.8 tt0 -76.51 -32.82 58.51 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.186 179.189 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 7.9 m-20 -69.06 -29.26 67.35 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.912 179.684 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 3.9 tp10 -80.26 -44.56 19.44 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 109.573 -0.528 . . . . 0.0 109.573 179.152 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 49.0 mt -64.4 -33.56 63.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-N 115.371 -0.832 . . . . 0.0 109.575 178.768 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 10.7 mttt -69.26 -47.54 64.35 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.177 179.475 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -71.0 -24.92 62.47 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.671 179.102 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 55.3 mtt180 -81.02 3.76 21.98 Favored 'General case' 0 CA--C 1.533 0.318 0 CA-C-N 116.25 -0.432 . . . . 0.0 112.044 179.961 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 3.3 t 61.48 33.81 18.36 Favored 'General case' 0 C--O 1.232 0.146 0 CA-C-O 121.11 0.481 . . . . 0.0 110.31 -179.585 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 8.8 tp -121.98 23.98 9.76 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.789 -179.568 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -64.61 -22.06 67.59 Favored Glycine 0 C--N 1.335 0.514 0 C-N-CA 120.89 -0.672 . . . . 0.0 112.405 179.585 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 18.3 p-80 -67.45 -30.32 70.02 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.887 0.375 . . . . 0.0 110.228 179.497 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 6.0 tp . . . . . 0 CA--C 1.534 0.363 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.302 179.76 . . . . . . . . 0 0 . 1 . 024 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 . . . . . 0 N--CA 1.455 -0.212 0 CA-C-O 121.008 0.433 . . . . 0.0 110.18 . . . . . . . . . 0 0 . 1 . 024 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -81.71 -33.6 31.06 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.398 179.199 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 18.1 tp -75.06 -47.02 30.94 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.694 -0.685 . . . . 0.0 110.567 179.712 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.453 ' CG2' ' CZ ' ' A' ' 14' ' ' PHE . 60.9 mt -68.55 -35.67 71.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.572 -179.935 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 33.1 mt-10 -62.3 -28.58 69.83 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.182 178.625 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -72.39 -46.43 55.27 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.216 -0.447 . . . . 0.0 109.801 179.391 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 76.2 t80 -63.2 -38.67 92.08 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.808 -0.633 . . . . 0.0 109.758 178.86 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . 0.453 ' CZ ' ' CG2' ' A' ' 10' ' ' ILE . 6.8 m-30 -72.21 -47.71 48.51 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.493 -0.776 . . . . 0.0 110.448 179.723 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 27.7 mtmt -64.23 -42.97 96.31 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.403 179.287 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -60.49 -37.03 79.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.893 -0.594 . . . . 0.0 111.613 -179.753 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 82.1 p -69.35 -32.48 71.58 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.956 0.408 . . . . 0.0 110.268 179.508 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -76.31 -46.09 29.34 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.501 -179.956 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 3.7 ptt? -83.58 -13.94 53.22 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.177 -0.465 . . . . 0.0 112.211 -179.405 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 3.1 m120 72.63 39.13 0.72 Allowed 'General case' 0 C--N 1.332 -0.164 0 CA-C-O 121.133 0.492 . . . . 0.0 110.14 -178.945 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.421 HD23 ' CD2' ' A' ' 25' ' ' PHE . 3.1 tt -57.64 157.94 6.59 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.565 -0.743 . . . . 0.0 110.487 -179.919 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 10.4 t-20 -42.44 137.26 2.13 Favored 'General case' 0 N--CA 1.47 0.571 0 N-CA-C 112.197 0.443 . . . . 0.0 112.197 -179.791 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 1.5 ttm180 -57.01 -29.79 63.63 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.641 -179.424 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -64.94 -35.59 81.67 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.815 0.34 . . . . 0.0 110.86 -179.777 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . 0.421 ' CD2' HD23 ' A' ' 21' ' ' LEU . 2.9 t80 -75.25 -43.99 48.41 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 109.301 -0.629 . . . . 0.0 109.301 179.137 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 60.6 mt -60.99 -43.23 95.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 115.545 -0.752 . . . . 0.0 110.088 178.863 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -74.11 -33.49 63.6 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.198 179.454 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -66.83 -46.44 75.13 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.804 -0.634 . . . . 0.0 110.013 179.47 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . 0.415 HD12 ' CE2' ' A' ' 25' ' ' PHE . 14.5 mt -69.24 -32.31 53.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.029 179.201 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -76.55 -32.73 58.37 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.26 179.194 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 52.4 m-20 -69.74 -29.65 67.06 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.912 179.761 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 16.4 tp10 -80.21 -46.15 16.81 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 109.378 -0.601 . . . . 0.0 109.378 179.229 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 67.0 mt -63.98 -33.54 62.84 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-N 115.423 -0.808 . . . . 0.0 109.559 178.587 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 8.5 mttt -68.99 -47.8 64.66 Favored 'General case' 0 N--CA 1.454 -0.247 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.212 179.397 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -70.93 -24.48 62.46 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.555 179.104 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 1.1 mmp_? -80.88 3.18 23.54 Favored 'General case' 0 CA--C 1.534 0.36 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.843 179.815 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 37.9 t 61.1 33.6 19.41 Favored 'General case' 0 C--O 1.23 0.04 0 CA-C-O 121.088 0.47 . . . . 0.0 110.249 -179.431 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 10.1 tp -123.19 15.98 9.86 Favored 'General case' 0 CA--C 1.532 0.288 0 CA-C-N 115.706 -0.679 . . . . 0.0 111.381 -179.386 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -58.2 -26.14 58.32 Favored Glycine 0 C--N 1.336 0.554 0 C-N-CA 120.579 -0.819 . . . . 0.0 112.097 179.539 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 3.4 p-80 -61.06 -30.62 70.44 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.921 0.391 . . . . 0.0 110.168 179.219 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 6.0 tp . . . . . 0 CA--C 1.533 0.314 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.214 179.512 . . . . . . . . 0 0 . 1 . 025 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 . . . . . 0 N--CA 1.455 -0.208 0 CA-C-O 120.869 0.366 . . . . 0.0 110.318 . . . . . . . . . 0 0 . 1 . 025 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -81.81 -35.54 29.38 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.743 179.428 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 51.7 tp -75.17 -43.81 50.21 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.875 179.902 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.457 ' CG2' ' CZ ' ' A' ' 14' ' ' PHE . 63.4 mt -69.38 -40.23 79.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-N 116.433 -0.349 . . . . 0.0 110.762 -179.805 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -60.8 -28.24 68.62 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 109.869 -0.419 . . . . 0.0 109.869 178.387 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 69.6 m -70.59 -44.21 67.8 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-O 121.069 0.461 . . . . 0.0 109.972 179.407 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 67.5 t80 -67.5 -39.64 85.19 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.017 179.232 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . 0.457 ' CZ ' ' CG2' ' A' ' 10' ' ' ILE . 7.7 m-30 -72.5 -39.69 67.43 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.408 -0.814 . . . . 0.0 110.73 179.963 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . 0.424 ' HD2' ' N ' ' A' ' 15' ' ' LYS . 0.0 OUTLIER -65.43 -53.31 44.74 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.155 -0.475 . . . . 0.0 109.915 179.591 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -57.3 -34.24 68.51 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.625 -0.716 . . . . 0.0 111.817 -179.702 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 6.1 p -69.29 -32.62 71.89 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.887 0.375 . . . . 0.0 110.306 179.645 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 6.4 mt-10 -78.57 -46.56 19.12 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.292 179.848 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 3.0 ptt? -82.8 -9.15 59.47 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 112.379 0.511 . . . . 0.0 112.379 -179.64 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 36.0 m-20 66.5 40.85 3.36 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.065 0.459 . . . . 0.0 110.651 -178.999 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 2.9 tt -59.36 159.7 7.62 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.2 179.629 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 6.1 t-20 -40.93 132.58 2.3 Favored 'General case' 0 N--CA 1.472 0.635 0 N-CA-C 112.298 0.481 . . . . 0.0 112.298 -179.743 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 5.6 tmm_? -53.99 -25.42 20.85 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.985 -0.552 . . . . 0.0 112.023 -179.344 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -69.47 -35.42 75.59 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.765 0.317 . . . . 0.0 110.913 -179.753 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . 0.419 ' CE2' HD11 ' A' ' 29' ' ' ILE . 4.2 t80 -74.0 -45.65 48.55 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 109.363 -0.606 . . . . 0.0 109.363 179.233 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 62.5 mt -59.07 -43.81 90.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 115.551 -0.75 . . . . 0.0 110.241 178.939 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 4.1 tt0 -72.85 -34.82 67.01 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.063 0.459 . . . . 0.0 110.295 179.615 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -65.13 -47.76 75.98 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.009 179.339 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . 0.419 HD11 ' CE2' ' A' ' 25' ' ' PHE . 10.5 mt -67.11 -32.77 59.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.207 179.337 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -76.33 -31.92 58.41 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.294 179.445 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 3.9 m-20 -69.58 -28.96 66.42 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.037 179.815 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 16.0 tp10 -80.4 -44.63 19.03 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.212 0.529 . . . . 0.0 109.644 179.335 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 42.6 mt -64.51 -32.92 59.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-N 115.354 -0.839 . . . . 0.0 109.882 178.925 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 4.4 mtmt -68.91 -46.19 68.94 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.045 179.272 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 17.8 mtt180 -69.59 -25.18 63.84 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.57 179.066 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 9.7 mtt180 -82.93 6.47 18.49 Favored 'General case' 0 CA--C 1.534 0.331 0 CA-C-N 116.209 -0.45 . . . . 0.0 112.209 -179.906 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 5.3 t 60.14 32.89 21.09 Favored 'General case' 0 C--O 1.232 0.141 0 CA-C-O 120.968 0.414 . . . . 0.0 110.456 -179.74 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.401 ' CD2' HD12 ' A' ' 10' ' ' ILE . 8.3 tp -121.11 28.04 8.08 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.618 -179.615 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -72.06 -6.29 64.02 Favored Glycine 0 C--N 1.335 0.49 0 C-N-CA 121.043 -0.599 . . . . 0.0 112.877 179.52 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 9.4 p-80 -85.04 -32.31 22.97 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 117.304 0.552 . . . . 0.0 109.609 178.899 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 6.1 tp . . . . . 0 CA--C 1.532 0.279 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.046 179.106 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.488 1.426 0 CA-C-O 120.869 0.366 . . . . 0.0 111.17 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 27.0 mtp180 -81.89 -50.96 8.58 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.848 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 14.0 mttm -127.04 124.08 38.48 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.863 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -173.64 147.37 1.4 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.888 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.2 p -64.48 150.19 47.08 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.675 179.753 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -61.82 -31.03 71.24 Favored 'General case' 0 C--N 1.331 -0.224 0 N-CA-C 109.792 -0.447 . . . . 0.0 109.792 179.401 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -64.99 -40.05 94.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.472 179.594 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 4.7 mp -81.0 -40.17 24.71 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.543 179.215 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 23.7 tp -62.78 -42.75 99.84 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.224 0.535 . . . . 0.0 109.68 179.005 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.459 ' CG2' ' CZ ' ' A' ' 14' ' ' PHE . 32.0 mt -74.51 -34.16 34.82 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.554 0 CA-C-N 115.605 -0.725 . . . . 0.0 109.797 178.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 8.6 mm-40 -62.5 -28.8 70.09 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.865 -0.607 . . . . 0.0 109.831 178.327 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 1.3 t -73.16 -46.53 50.35 Favored 'General case' 0 N--CA 1.455 -0.219 0 N-CA-C 109.435 -0.58 . . . . 0.0 109.435 179.003 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.421 ' CE1' ' HB2' ' A' ' 30' ' ' GLU . 74.6 t80 -63.65 -40.11 96.04 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.778 -0.646 . . . . 0.0 109.929 178.778 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . 0.459 ' CZ ' ' CG2' ' A' ' 10' ' ' ILE . 5.6 m-30 -70.58 -47.6 59.4 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.543 -0.753 . . . . 0.0 110.438 179.783 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 36.0 mtmt -61.37 -44.58 96.93 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.586 179.499 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -60.25 -37.27 79.86 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.85 -0.614 . . . . 0.0 111.771 -179.483 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 68.2 p -68.24 -32.48 72.69 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.886 0.374 . . . . 0.0 110.546 179.865 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -75.5 -44.26 44.73 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.45 -179.908 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 3.5 ptt? -84.39 -14.68 48.74 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 112.177 0.436 . . . . 0.0 112.177 -179.491 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 10.3 m-80 75.95 38.15 0.36 Allowed 'General case' 0 N--CA 1.465 0.3 0 CA-C-O 121.098 0.475 . . . . 0.0 110.142 -179.019 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 3.3 tt -57.6 156.13 8.76 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.615 -0.72 . . . . 0.0 110.516 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 9.8 t-20 -42.8 138.69 1.88 Allowed 'General case' 0 N--CA 1.47 0.529 0 N-CA-C 112.221 0.452 . . . . 0.0 112.221 -179.619 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 7.5 ttm180 -58.15 -28.92 65.15 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.88 -0.6 . . . . 0.0 111.609 -179.502 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -64.49 -38.85 92.45 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.567 -0.288 . . . . 0.0 111.055 -179.709 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . 0.4 ' CD2' HD13 ' A' ' 29' ' ' ILE . 3.7 t80 -73.83 -42.5 60.79 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 109.395 -0.595 . . . . 0.0 109.395 179.088 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 69.4 mt -60.41 -43.41 93.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 115.427 -0.806 . . . . 0.0 110.01 178.823 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -75.02 -34.7 61.93 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.258 179.536 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -65.33 -47.59 75.98 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.827 -0.624 . . . . 0.0 109.997 179.483 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . 0.4 HD13 ' CD2' ' A' ' 25' ' ' PHE . 9.8 mt -67.85 -31.98 54.5 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.085 179.376 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.421 ' HB2' ' CE1' ' A' ' 13' ' ' TYR . 1.4 tm-20 -76.71 -33.23 58.2 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.311 179.196 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -67.59 -30.05 69.56 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.976 -0.556 . . . . 0.0 111.056 179.825 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 2.5 tp10 -80.26 -45.32 18.14 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 109.459 -0.571 . . . . 0.0 109.459 179.167 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 51.1 mt -64.58 -31.93 55.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-N 115.319 -0.855 . . . . 0.0 109.692 178.565 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 7.1 mmtt -70.34 -47.95 58.66 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.254 179.464 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 3.1 ttm-85 -69.54 -23.09 63.54 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.608 178.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 16.5 mtp180 -83.45 6.37 20.47 Favored 'General case' 0 CA--C 1.535 0.366 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.979 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 5.0 t 61.02 34.06 19.45 Favored 'General case' 0 C--O 1.229 0.026 0 CA-C-O 121.076 0.465 . . . . 0.0 110.478 -179.721 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 8.1 tp -123.02 26.04 8.28 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.667 -0.697 . . . . 0.0 110.755 -179.579 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -71.03 -7.67 62.98 Favored Glycine 0 C--N 1.336 0.539 0 C-N-CA 120.94 -0.648 . . . . 0.0 112.835 179.687 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -82.79 -31.47 28.21 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 117.256 0.528 . . . . 0.0 109.641 178.784 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 6.5 tp -61.2 -33.97 58.55 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.279 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.039 179.05 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.4 ' CD1' ' CG2' ' A' ' 44' ' ' VAL . 13.9 pt -81.48 165.88 2.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 115.216 -0.902 . . . . 0.0 110.688 179.775 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 15.5 t -82.71 58.68 4.37 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.21 0.529 . . . . 0.0 110.067 179.331 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.4 ' CG2' ' CD1' ' A' ' 42' ' ' ILE . 33.2 t -123.02 160.57 25.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 115.632 -0.713 . . . . 0.0 111.149 -179.096 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 31.0 t -107.77 89.45 3.0 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.959 0.409 . . . . 0.0 110.544 179.412 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.248 1.024 0 CA-C-O 118.219 -0.896 . . . . 0.0 110.888 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.361 0 CA-C-O 120.905 0.383 . . . . 0.0 111.147 . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 6.1 mtt180 -82.43 -51.13 8.13 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.932 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -176.1 135.71 0.28 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.832 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -176.99 148.27 0.63 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.929 -179.822 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 44.9 t -69.97 163.77 25.35 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.668 179.785 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -58.3 -24.37 59.37 Favored 'General case' 0 N--CA 1.465 0.31 0 CA-C-N 116.468 -0.333 . . . . 0.0 110.234 179.363 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -73.4 -37.4 65.97 Favored 'General case' 0 N--CA 1.454 -0.228 0 CA-C-O 120.935 0.398 . . . . 0.0 110.021 179.387 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -80.72 -33.61 35.11 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.434 179.141 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 18.2 tp -74.04 -47.07 39.3 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.532 179.658 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.457 ' CG2' ' CZ ' ' A' ' 14' ' ' PHE . 51.7 mt -68.38 -35.07 69.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.521 179.901 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 15.5 mt-10 -62.04 -28.41 69.57 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.118 178.658 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 1.1 t -73.19 -45.28 57.25 Favored 'General case' 0 CA--C 1.52 -0.183 0 N-CA-C 109.708 -0.478 . . . . 0.0 109.708 179.285 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 71.4 t80 -64.67 -38.0 89.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.842 -0.617 . . . . 0.0 109.807 178.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . 0.457 ' CZ ' ' CG2' ' A' ' 10' ' ' ILE . 13.2 m-30 -73.54 -45.57 52.78 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.519 -0.764 . . . . 0.0 110.516 179.693 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 6.6 mmtt -65.29 -44.98 86.24 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.583 179.48 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -64.32 -35.98 82.62 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.667 -179.653 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 20.4 p -67.34 -32.59 73.64 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.991 0.424 . . . . 0.0 110.51 179.72 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -75.82 -47.12 26.99 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.486 -179.742 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 3.6 ptt? -81.4 -14.04 57.61 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.195 -0.457 . . . . 0.0 112.175 -179.555 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 22.2 m-20 74.67 38.15 0.5 Allowed 'General case' 0 N--CA 1.463 0.191 0 CA-C-O 121.14 0.495 . . . . 0.0 110.012 -179.076 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.409 HD22 ' CD2' ' A' ' 25' ' ' PHE . 3.2 tt -55.85 157.91 4.04 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.591 -0.731 . . . . 0.0 110.523 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 47.7 t30 -41.66 133.81 2.6 Favored 'General case' 0 N--CA 1.471 0.622 0 N-CA-C 112.141 0.423 . . . . 0.0 112.141 -179.774 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -54.56 -29.03 49.88 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.86 -179.326 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -66.15 -36.16 82.38 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.765 0.317 . . . . 0.0 110.917 -179.796 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . 0.428 ' CE2' HD11 ' A' ' 29' ' ' ILE . 2.6 t80 -74.63 -42.56 58.36 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 109.206 -0.665 . . . . 0.0 109.206 179.065 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 56.0 mt -61.93 -47.52 92.84 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 115.454 -0.794 . . . . 0.0 109.993 178.825 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -69.81 -32.21 70.53 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.359 179.651 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -67.84 -47.2 69.64 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.007 179.5 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . 0.428 HD11 ' CE2' ' A' ' 25' ' ' PHE . 12.5 mt -68.95 -32.45 54.59 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.02 179.161 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 6.9 tt0 -76.61 -32.72 58.24 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.193 179.266 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 5.1 m-20 -69.4 -28.89 66.55 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.997 179.899 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 8.6 tp10 -80.6 -45.1 17.87 Favored 'General case' 0 C--N 1.33 -0.273 0 N-CA-C 109.574 -0.528 . . . . 0.0 109.574 179.21 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 45.5 mt -64.55 -32.21 56.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-N 115.337 -0.847 . . . . 0.0 109.759 178.721 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 36.6 mttt -69.62 -47.1 64.62 Favored 'General case' 0 N--CA 1.456 -0.172 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.075 179.385 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 3.3 tpp180 -70.85 -24.29 62.49 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.954 -0.567 . . . . 0.0 110.768 179.166 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 5.3 mtp180 -81.96 4.76 21.44 Favored 'General case' 0 CA--C 1.534 0.349 0 CA-C-N 116.287 -0.415 . . . . 0.0 112.038 179.899 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 2.8 t 61.32 34.48 18.48 Favored 'General case' 0 C--O 1.23 0.065 0 CA-C-O 121.14 0.495 . . . . 0.0 110.328 -179.663 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 8.6 tp -123.08 27.06 7.79 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.538 -0.756 . . . . 0.0 110.547 -179.549 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -70.83 -7.33 61.63 Favored Glycine 0 C--N 1.336 0.533 0 C-N-CA 121.0 -0.619 . . . . 0.0 113.067 179.803 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 8.8 p-80 -83.88 -32.24 25.28 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 117.348 0.574 . . . . 0.0 109.497 178.8 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 6.2 tp -59.66 -32.86 50.25 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.325 0 CA-C-N 115.804 -0.635 . . . . 0.0 109.829 178.798 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 15.9 pt -84.76 158.76 3.47 Favored 'Isoleucine or valine' 0 C--O 1.232 0.172 0 CA-C-N 115.036 -0.984 . . . . 0.0 110.799 179.733 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 13.2 t -79.81 61.58 3.79 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.153 0.502 . . . . 0.0 110.128 179.472 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 24.7 t -122.86 160.13 25.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 115.791 -0.641 . . . . 0.0 111.324 -179.182 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 94.0 p -116.12 89.75 3.18 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.489 179.559 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.6 t . . . . . 0 C--O 1.25 1.084 0 CA-C-O 118.192 -0.909 . . . . 0.0 110.949 -179.99 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.408 ' HE2' ' CZ ' ' A' ' 25' ' ' PHE . 0.4 OUTLIER . . . . . 0 N--CA 1.486 1.35 0 CA-C-O 120.824 0.345 . . . . 0.0 111.203 . . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 16.0 mmt180 -67.49 -51.01 56.31 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.914 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 30.7 tptt -166.49 110.01 0.75 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.805 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 7.7 mt -134.8 150.01 50.46 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.033 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -60.62 153.23 24.3 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.595 179.604 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -60.29 -30.27 69.37 Favored 'General case' 0 N--CA 1.465 0.278 0 N-CA-C 109.795 -0.446 . . . . 0.0 109.795 179.421 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -65.72 -41.84 91.8 Favored 'General case' 0 N--CA 1.453 -0.321 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.257 179.54 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 5.4 mp -80.39 -37.5 32.15 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.233 179.078 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 14.0 tp -63.43 -44.52 94.33 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.958 -0.565 . . . . 0.0 109.574 178.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.456 ' CG2' ' CZ ' ' A' ' 14' ' ' PHE . 23.5 mt -72.49 -34.88 49.69 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.525 0 CA-C-N 115.621 -0.718 . . . . 0.0 109.858 179.162 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -61.38 -28.36 69.18 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.084 -0.507 . . . . 0.0 109.822 178.206 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 5.9 m -73.21 -47.07 46.61 Favored 'General case' 0 N--CA 1.455 -0.185 0 N-CA-C 109.463 -0.569 . . . . 0.0 109.463 179.122 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.419 ' CD2' HG23 ' A' ' 42' ' ' ILE . 75.3 t80 -62.87 -38.73 92.04 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.792 -0.64 . . . . 0.0 109.948 178.847 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . 0.456 ' CZ ' ' CG2' ' A' ' 10' ' ' ILE . 6.2 m-30 -72.39 -46.18 56.38 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.596 -0.729 . . . . 0.0 110.282 179.702 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.59 -42.47 95.56 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.881 -0.599 . . . . 0.0 110.589 179.305 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -65.76 -38.28 88.64 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.013 -0.539 . . . . 0.0 111.548 -179.662 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 20.8 p -65.0 -32.63 74.45 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.876 0.369 . . . . 0.0 110.501 179.81 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 5.6 mt-10 -75.04 -48.06 25.87 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.631 -179.734 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 4.5 ptp -80.43 -14.43 58.3 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 112.38 0.511 . . . . 0.0 112.38 -179.266 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 4.9 m120 75.69 38.26 0.38 Allowed 'General case' 0 N--CA 1.465 0.28 0 CA-C-O 121.197 0.523 . . . . 0.0 109.978 -178.913 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.424 HD11 ' CD2' ' A' ' 25' ' ' PHE . 2.8 tt -55.05 158.77 2.71 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 115.479 -0.782 . . . . 0.0 110.66 -179.922 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 9.7 t-20 -41.79 133.67 2.74 Favored 'General case' 0 N--CA 1.47 0.572 0 N-CA-C 112.208 0.447 . . . . 0.0 112.208 -179.739 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 2.5 tpt180 -54.75 -31.36 58.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.916 -179.293 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -67.17 -33.52 75.57 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.747 0.308 . . . . 0.0 111.07 -179.639 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . 0.424 ' CD2' HD11 ' A' ' 21' ' ' LEU . 7.5 t80 -75.99 -43.67 43.36 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 109.313 -0.625 . . . . 0.0 109.313 179.148 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 61.6 mt -61.09 -44.98 99.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 115.453 -0.794 . . . . 0.0 110.104 178.875 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 2.7 tp10 -72.17 -32.98 67.35 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.303 179.497 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -66.37 -47.77 72.31 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.053 179.44 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . 0.422 HD13 ' CD2' ' A' ' 25' ' ' PHE . 9.9 mt -67.76 -32.21 55.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.097 179.179 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.413 ' HB2' ' CE1' ' A' ' 13' ' ' TYR . 3.5 tt0 -76.4 -33.55 58.85 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.253 179.341 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 48.0 m-20 -67.92 -29.24 68.27 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.891 -0.595 . . . . 0.0 111.105 179.818 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 1.7 tp10 -80.58 -44.82 18.35 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 109.561 -0.533 . . . . 0.0 109.561 179.29 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 46.4 mt -65.16 -32.0 56.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-N 115.366 -0.834 . . . . 0.0 109.823 178.76 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 22.6 mttt -71.25 -46.24 61.45 Favored 'General case' 0 N--CA 1.455 -0.186 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.065 179.307 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 13.1 mtt85 -70.83 -23.84 62.42 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.925 -0.579 . . . . 0.0 110.47 178.877 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 43.1 mtt180 -83.48 6.29 20.85 Favored 'General case' 0 CA--C 1.534 0.346 0 CA-C-N 116.363 -0.38 . . . . 0.0 112.005 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 6.3 t 60.66 34.53 20.06 Favored 'General case' 0 C--O 1.231 0.121 0 CA-C-O 121.08 0.467 . . . . 0.0 110.483 -179.734 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 8.3 tp -123.04 27.19 7.75 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.647 -0.706 . . . . 0.0 110.737 -179.515 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -70.88 -7.66 62.45 Favored Glycine 0 C--N 1.334 0.462 0 C-N-CA 121.073 -0.584 . . . . 0.0 112.988 179.695 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 22.5 p-80 -83.18 -31.48 27.1 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 117.371 0.585 . . . . 0.0 109.518 178.779 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 6.3 tp -61.04 -33.55 56.36 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.268 0 CA-C-N 115.791 -0.64 . . . . 0.0 109.981 179.037 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.419 HG23 ' CD2' ' A' ' 13' ' ' TYR . 13.8 pt -82.36 155.27 3.97 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.186 0 CA-C-N 115.225 -0.898 . . . . 0.0 110.855 179.748 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 7.7 t -77.29 63.4 2.5 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.172 0.511 . . . . 0.0 110.153 179.409 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 26.1 t -122.76 151.42 26.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 115.737 -0.665 . . . . 0.0 111.259 -179.119 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 2.7 p -116.23 89.52 3.13 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.677 179.478 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 6.0 t . . . . . 0 C--O 1.25 1.123 0 CA-C-O 118.231 -0.89 . . . . 0.0 110.895 179.94 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.363 0 CA-C-O 120.892 0.377 . . . . 0.0 111.139 . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 36.6 mtm180 -83.08 -51.15 7.79 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.012 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 28.1 pttt -167.92 130.3 1.53 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.908 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -177.74 147.31 0.48 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.06 -179.85 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.5 m -67.75 163.13 22.33 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.482 179.695 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . 0.401 ' HB3' ' CD2' ' A' ' 38' ' ' LEU . 0.6 OUTLIER -59.35 -25.84 64.55 Favored 'General case' 0 N--CA 1.465 0.32 0 CA-C-O 120.818 0.342 . . . . 0.0 110.1 179.336 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -71.87 -37.32 70.22 Favored 'General case' 0 N--CA 1.455 -0.221 0 CA-C-O 121.044 0.45 . . . . 0.0 110.063 179.265 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -79.77 -33.86 40.27 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.543 -0.753 . . . . 0.0 110.423 179.25 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 15.8 tp -74.38 -47.2 35.54 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.702 -0.681 . . . . 0.0 110.573 179.737 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.459 ' CG2' ' CZ ' ' A' ' 14' ' ' PHE . 33.5 mt -68.59 -33.88 62.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.499 179.798 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 12.1 mm-40 -62.25 -28.77 69.94 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.152 178.632 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -73.67 -45.65 51.21 Favored 'General case' 0 C--N 1.331 -0.201 0 N-CA-C 109.66 -0.496 . . . . 0.0 109.66 179.289 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.418 ' CE1' ' HB2' ' A' ' 30' ' ' GLU . 54.0 t80 -63.93 -36.53 84.26 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.809 -0.632 . . . . 0.0 109.711 178.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . 0.459 ' CZ ' ' CG2' ' A' ' 10' ' ' ILE . 5.7 m-30 -74.57 -48.05 29.03 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.448 -0.796 . . . . 0.0 110.308 179.807 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 43.2 mtmt -64.06 -44.03 93.68 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.46 179.448 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -62.31 -37.73 86.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.875 -0.602 . . . . 0.0 111.601 -179.625 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 35.1 p -66.6 -32.4 73.7 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.935 0.398 . . . . 0.0 110.298 179.587 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 10.3 mt-10 -74.75 -49.02 22.49 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 115.957 -0.565 . . . . 0.0 111.564 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 3.5 ptt? -80.25 -14.71 58.19 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 112.368 0.507 . . . . 0.0 112.368 -179.431 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 11.7 m120 75.08 39.73 0.38 Allowed 'General case' 0 N--CA 1.464 0.268 0 CA-C-O 121.193 0.521 . . . . 0.0 110.013 -178.885 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.418 HD23 ' CD2' ' A' ' 25' ' ' PHE . 3.0 tt -56.46 157.97 4.71 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.626 -0.715 . . . . 0.0 110.532 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 54.0 t-20 -41.84 133.4 2.84 Favored 'General case' 0 N--CA 1.47 0.574 0 N-CA-C 112.16 0.43 . . . . 0.0 112.16 -179.747 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -54.95 -26.39 35.99 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.945 -0.57 . . . . 0.0 111.892 -179.378 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -69.7 -36.58 76.06 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.668 0.271 . . . . 0.0 111.022 -179.738 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . 0.42 ' CD2' HD12 ' A' ' 29' ' ' ILE . 2.5 t80 -74.66 -41.13 60.87 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 109.372 -0.603 . . . . 0.0 109.372 179.107 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 59.0 mt -62.02 -45.95 97.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 115.517 -0.765 . . . . 0.0 109.893 178.745 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -71.16 -33.6 70.17 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.163 179.458 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -66.57 -47.43 72.81 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.827 -0.624 . . . . 0.0 109.946 179.316 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . 0.42 HD12 ' CD2' ' A' ' 25' ' ' PHE . 6.6 mt -67.96 -32.17 55.14 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.071 179.254 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.418 ' HB2' ' CE1' ' A' ' 13' ' ' TYR . 4.7 tt0 -76.31 -32.74 58.9 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.149 179.157 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 6.7 m120 -68.91 -28.13 66.4 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.801 -0.636 . . . . 0.0 111.1 179.743 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 2.7 tp10 -80.36 -45.69 17.32 Favored 'General case' 0 CA--C 1.519 -0.247 0 N-CA-C 109.56 -0.534 . . . . 0.0 109.56 179.269 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 65.3 mt -64.56 -31.8 55.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 CA-C-N 115.435 -0.802 . . . . 0.0 109.906 178.784 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 21.2 mttt -70.74 -46.67 62.57 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.2 -0.454 . . . . 0.0 109.864 179.299 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 21.4 mtm180 -70.93 -24.35 62.43 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.63 179.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 17.7 mtt-85 -81.92 4.43 22.57 Favored 'General case' 0 CA--C 1.534 0.344 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.873 179.904 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 3.5 t 61.31 33.97 18.73 Favored 'General case' 0 CA--C 1.523 -0.062 0 CA-C-O 121.119 0.485 . . . . 0.0 110.311 -179.572 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.401 ' CD2' HD13 ' A' ' 10' ' ' ILE . 9.8 tp -123.15 28.18 7.26 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.599 -0.728 . . . . 0.0 110.642 -179.361 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -69.65 -8.74 60.78 Favored Glycine 0 C--N 1.334 0.468 0 C-N-CA 120.989 -0.624 . . . . 0.0 113.044 179.765 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -81.95 -31.71 31.13 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 117.379 0.589 . . . . 0.0 109.7 178.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 6.9 tp -61.03 -32.87 53.76 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.292 0 CA-C-N 115.749 -0.659 . . . . 0.0 110.116 178.867 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 14.4 pt -84.23 152.36 3.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 115.208 -0.906 . . . . 0.0 110.879 179.852 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 8.4 t -75.51 64.54 1.63 Allowed 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.105 0.479 . . . . 0.0 110.098 179.459 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 27.5 t -122.84 153.04 27.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 115.827 -0.624 . . . . 0.0 111.385 -179.1 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 76.2 p -116.99 89.6 3.15 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.52 179.372 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 2.7 p . . . . . 0 C--O 1.249 1.043 0 CA-C-O 118.133 -0.937 . . . . 0.0 110.945 -179.971 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.362 0 CA-C-O 120.812 0.339 . . . . 0.0 111.016 . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 6.7 mtt180 -83.01 -51.46 7.55 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.922 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 17.1 ttpt -178.25 100.6 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.804 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 4.8 mt -140.08 144.75 36.97 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.35 -0.387 . . . . 0.0 110.922 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 8.2 m -67.17 165.11 16.68 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.497 179.56 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -58.1 -24.58 59.16 Favored 'General case' 0 N--CA 1.466 0.37 0 CA-C-O 120.826 0.346 . . . . 0.0 110.195 179.338 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -74.79 -37.97 62.25 Favored 'General case' 0 N--CA 1.455 -0.208 0 CA-C-O 120.876 0.37 . . . . 0.0 110.244 179.512 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -81.99 -32.85 30.43 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.56 179.38 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 15.4 tp -75.2 -44.02 48.72 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.744 179.751 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.466 ' CG2' ' CZ ' ' A' ' 14' ' ' PHE . 62.2 mt -69.75 -37.79 74.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.594 179.85 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -61.28 -27.82 68.74 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.044 178.628 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 69.0 m -71.92 -47.02 55.51 Favored 'General case' 0 CA--C 1.521 -0.156 0 N-CA-C 109.743 -0.465 . . . . 0.0 109.743 179.121 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.411 ' CE1' ' HB2' ' A' ' 30' ' ' GLU . 65.2 t80 -64.01 -38.43 91.05 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.049 179.045 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . 0.466 ' CZ ' ' CG2' ' A' ' 10' ' ' ILE . 12.3 m-30 -72.87 -43.21 62.82 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.481 -0.781 . . . . 0.0 110.75 179.816 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 28.4 mtmt -65.21 -47.92 75.2 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.625 179.42 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -63.8 -33.76 76.4 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.95 -0.568 . . . . 0.0 111.784 -179.702 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 14.9 p -68.06 -32.59 73.04 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.803 0.335 . . . . 0.0 110.465 179.807 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -76.84 -48.01 19.7 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.482 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 3.6 ptt? -80.08 -14.58 58.41 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.218 -0.446 . . . . 0.0 112.084 -179.59 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 12.5 m120 74.02 37.16 0.65 Allowed 'General case' 0 N--CA 1.463 0.201 0 CA-C-O 121.161 0.505 . . . . 0.0 110.141 -178.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.402 HD21 ' CD2' ' A' ' 25' ' ' PHE . 2.8 tt -54.37 160.36 1.71 Allowed 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 115.588 -0.733 . . . . 0.0 110.541 179.88 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 10.4 t-20 -41.71 133.19 2.79 Favored 'General case' 0 N--CA 1.472 0.628 0 N-CA-C 112.079 0.399 . . . . 0.0 112.079 -179.674 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 6.1 tpp85 -54.5 -28.81 47.71 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.778 -179.36 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -66.55 -35.45 80.26 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 120.733 0.301 . . . . 0.0 110.998 -179.721 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . 0.413 ' CD2' HD11 ' A' ' 29' ' ' ILE . 2.4 t80 -74.64 -43.59 54.66 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 109.263 -0.643 . . . . 0.0 109.263 179.092 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . 0.459 HG21 HD12 ' A' ' 26' ' ' ILE . 58.4 mt -61.99 -45.77 97.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 115.531 -0.758 . . . . 0.0 110.056 178.882 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -71.13 -32.8 69.43 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.426 179.623 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -67.45 -47.27 70.64 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.07 179.569 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . 0.413 HD11 ' CD2' ' A' ' 25' ' ' PHE . 10.4 mt -69.04 -32.35 53.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.107 179.197 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.411 ' HB2' ' CE1' ' A' ' 13' ' ' TYR . 5.8 tt0 -76.56 -32.87 58.45 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.343 179.171 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 49.8 m-20 -68.56 -29.56 68.13 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.815 -0.629 . . . . 0.0 110.982 179.904 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 8.9 tp10 -80.22 -45.8 17.39 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 109.542 -0.54 . . . . 0.0 109.542 179.139 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 47.1 mt -63.31 -32.18 55.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-N 115.358 -0.837 . . . . 0.0 109.76 178.793 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 22.0 mttt -69.64 -47.99 61.46 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.196 179.545 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 1.3 tmt_? -70.74 -24.26 62.59 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.811 179.143 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 30.5 mtt180 -81.39 3.92 22.71 Favored 'General case' 0 CA--C 1.534 0.342 0 N-CA-C 112.093 0.405 . . . . 0.0 112.093 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 3.7 t 62.23 34.71 15.87 Favored 'General case' 0 C--O 1.232 0.133 0 CA-C-O 121.063 0.458 . . . . 0.0 110.371 -179.757 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.403 ' CD2' HD12 ' A' ' 10' ' ' ILE . 7.8 tp -123.02 27.48 7.63 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.634 -0.712 . . . . 0.0 110.449 -179.707 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -71.22 -7.24 62.82 Favored Glycine 0 C--N 1.337 0.598 0 C-N-CA 121.017 -0.611 . . . . 0.0 113.015 179.891 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' HIS . . . . . 0.415 ' CD2' ' N ' ' A' ' 41' ' ' ILE . 3.2 p-80 -84.53 -32.08 24.08 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 117.315 0.558 . . . . 0.0 109.581 178.932 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.415 ' N ' ' CD2' ' A' ' 40' ' ' HIS . 5.9 tp -60.9 -32.97 53.68 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.281 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.027 179.084 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 14.0 pt -81.67 155.34 4.12 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.19 0 CA-C-N 115.215 -0.902 . . . . 0.0 111.145 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 10.9 t -77.1 63.55 2.39 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.16 0.505 . . . . 0.0 110.141 179.302 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 38.4 t -122.69 146.29 28.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 115.699 -0.682 . . . . 0.0 111.22 -179.084 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -102.06 89.44 3.62 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.491 179.485 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 39.6 t . . . . . 0 C--O 1.251 1.134 0 CA-C-O 118.195 -0.907 . . . . 0.0 110.927 -179.977 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.365 0 CA-C-O 120.8 0.333 . . . . 0.0 111.043 . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 2.0 ttt180 -83.15 -51.2 7.71 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.095 -179.891 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -178.22 93.92 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.009 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 4.8 mt -133.74 145.39 49.79 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.764 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 64.7 m -60.19 162.15 6.23 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.577 179.641 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -57.43 -25.94 60.39 Favored 'General case' 0 N--CA 1.464 0.275 0 CA-C-O 120.884 0.373 . . . . 0.0 110.316 179.523 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -73.18 -35.9 66.48 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.218 179.395 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -81.05 -35.21 32.09 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.665 179.363 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 14.9 tp -74.36 -44.59 51.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.777 179.828 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.451 ' CG2' ' CZ ' ' A' ' 14' ' ' PHE . 51.6 mt -69.87 -35.46 64.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.551 179.87 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -62.1 -28.42 69.61 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.182 178.735 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -73.65 -45.82 50.38 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-O 121.016 0.436 . . . . 0.0 109.835 179.255 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.412 ' CZ ' ' HG3' ' A' ' 30' ' ' GLU . 63.4 t80 -64.16 -38.19 90.18 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.871 -0.604 . . . . 0.0 109.776 178.786 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . 0.451 ' CZ ' ' CG2' ' A' ' 10' ' ' ILE . 7.1 m-30 -73.2 -46.38 50.82 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.471 -0.786 . . . . 0.0 110.462 179.68 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 7.5 mmpt? -65.48 -45.64 82.87 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.817 -0.628 . . . . 0.0 110.499 179.361 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -63.07 -35.04 78.93 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.83 -0.623 . . . . 0.0 111.627 -179.579 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 18.5 p -68.94 -32.59 72.3 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.958 0.409 . . . . 0.0 110.454 179.73 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -75.76 -46.17 32.31 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.456 -179.879 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 3.7 ptt? -82.54 -15.29 52.88 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 112.162 0.43 . . . . 0.0 112.162 -179.49 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 18.4 m-80 74.26 39.76 0.47 Allowed 'General case' 0 N--CA 1.463 0.196 0 CA-C-O 121.254 0.549 . . . . 0.0 109.934 -178.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.424 HD21 ' CD2' ' A' ' 25' ' ' PHE . 2.7 tt -55.77 159.45 3.07 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 115.45 -0.795 . . . . 0.0 110.547 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 61.6 t30 -41.34 131.4 2.83 Favored 'General case' 0 N--CA 1.47 0.557 0 N-CA-C 112.158 0.429 . . . . 0.0 112.158 -179.859 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.43 -32.57 27.1 Favored 'General case' 0 N--CA 1.464 0.265 0 CA-C-N 115.909 -0.587 . . . . 0.0 112.099 -179.267 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 1.9 t0 -65.14 -35.78 82.18 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.584 -0.28 . . . . 0.0 111.304 -179.522 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . 0.425 ' CD2' HD13 ' A' ' 29' ' ' ILE . 2.5 t80 -74.68 -43.91 52.84 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 179.239 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 56.3 mt -61.31 -46.1 97.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 115.63 -0.714 . . . . 0.0 110.062 178.909 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -70.66 -33.14 70.64 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.077 0.465 . . . . 0.0 110.336 179.66 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -67.79 -46.67 71.31 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.0 179.439 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . 0.425 HD13 ' CD2' ' A' ' 25' ' ' PHE . 6.1 mt -68.14 -32.95 58.15 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.108 179.178 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.412 ' HG3' ' CZ ' ' A' ' 13' ' ' TYR . 8.4 tt0 -76.49 -32.65 58.47 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.288 179.51 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 6.8 m120 -69.46 -28.88 66.48 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.94 -0.573 . . . . 0.0 111.152 179.883 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -80.5 -45.2 17.9 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.221 0.534 . . . . 0.0 109.608 179.295 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 44.4 mt -63.35 -32.21 55.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-N 115.394 -0.821 . . . . 0.0 109.744 178.722 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 14.9 mtmt -71.49 -49.03 45.14 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.156 179.404 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 1.4 tpt180 -69.37 -24.2 63.84 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.635 179.133 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 39.9 mtt180 -82.73 5.85 20.0 Favored 'General case' 0 CA--C 1.533 0.322 0 N-CA-C 112.18 0.437 . . . . 0.0 112.18 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 24.1 t 60.75 34.74 19.79 Favored 'General case' 0 C--O 1.231 0.125 0 CA-C-O 121.092 0.472 . . . . 0.0 110.458 -179.857 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.407 ' CD2' HD13 ' A' ' 10' ' ' ILE . 8.0 tp -123.11 25.07 8.65 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.667 -0.697 . . . . 0.0 110.76 -179.606 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -69.07 -9.65 60.52 Favored Glycine 0 C--N 1.335 0.522 0 C-N-CA 120.967 -0.635 . . . . 0.0 112.968 179.83 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 7.6 p-80 -81.14 -33.07 33.41 Favored 'General case' 0 N--CA 1.454 -0.272 0 CA-C-N 117.269 0.534 . . . . 0.0 109.689 179.025 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 6.1 tp -59.87 -33.36 52.32 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.31 0 CA-C-O 121.418 0.628 . . . . 0.0 109.928 178.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.424 ' CD1' ' CG2' ' A' ' 44' ' ' VAL . 15.2 pt -85.38 178.15 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.188 0 CA-C-N 114.991 -1.004 . . . . 0.0 110.395 179.477 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 15.1 t -88.28 53.64 2.8 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.257 0.551 . . . . 0.0 110.024 179.22 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.424 ' CG2' ' CD1' ' A' ' 42' ' ' ILE . 48.5 t -123.08 146.06 29.0 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.336 0 CA-C-N 115.719 -0.673 . . . . 0.0 111.398 -178.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 3.8 m -110.77 89.35 3.01 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.516 179.381 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 40.1 t . . . . . 0 C--O 1.249 1.053 0 CA-C-O 118.37 -0.824 . . . . 0.0 110.966 179.987 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.406 ' HE3' ' CE1' ' A' ' 25' ' ' PHE . 0.1 OUTLIER . . . . . 0 N--CA 1.487 1.391 0 CA-C-O 120.837 0.351 . . . . 0.0 111.206 . . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 40.7 mtp180 -76.3 -51.13 12.6 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.97 -179.883 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 5.1 pttt -170.77 95.18 0.21 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.022 179.921 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 5.1 mt -119.24 147.26 44.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.7 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -59.89 160.28 7.95 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.396 179.584 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -57.19 -27.28 61.81 Favored 'General case' 0 N--CA 1.469 0.476 0 CA-C-O 120.986 0.422 . . . . 0.0 110.048 179.555 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -76.02 -34.6 59.69 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.255 179.432 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -79.69 -38.07 34.36 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.002 179.602 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 45.5 tp -74.97 -44.5 48.01 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.988 -179.919 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.458 ' CG2' ' CZ ' ' A' ' 14' ' ' PHE . 62.0 mt -69.73 -33.91 58.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.625 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -62.61 -28.6 70.01 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.069 178.65 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 49.4 m -72.6 -46.03 56.18 Favored 'General case' 0 N--CA 1.454 -0.225 0 N-CA-C 109.687 -0.486 . . . . 0.0 109.687 179.342 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.421 ' CE1' ' HB2' ' A' ' 30' ' ' GLU . 75.6 t80 -65.09 -39.06 92.63 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.86 -0.609 . . . . 0.0 109.98 178.933 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . 0.458 ' CZ ' ' CG2' ' A' ' 10' ' ' ILE . 7.2 m-30 -72.25 -42.66 65.4 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.628 -0.715 . . . . 0.0 110.545 179.721 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.44 -45.38 80.03 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.332 179.241 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -59.69 -36.11 75.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.915 -0.584 . . . . 0.0 111.419 -179.782 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 59.4 p -69.77 -32.55 71.11 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.95 0.405 . . . . 0.0 110.285 179.506 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -77.14 -45.18 27.69 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.619 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 3.5 ptt? -83.79 -15.91 46.68 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 112.184 0.439 . . . . 0.0 112.184 -179.432 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 21.6 m-20 75.53 37.68 0.42 Allowed 'General case' 0 N--CA 1.464 0.271 0 CA-C-O 121.082 0.468 . . . . 0.0 110.144 -179.049 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.412 HD13 ' CD2' ' A' ' 25' ' ' PHE . 3.1 tt -57.76 156.97 7.92 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.725 -0.671 . . . . 0.0 110.397 179.928 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 48.9 t30 -41.31 137.46 1.43 Allowed 'General case' 0 N--CA 1.472 0.637 0 N-CA-C 112.272 0.471 . . . . 0.0 112.272 -179.646 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.1 -31.42 63.25 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.934 -0.575 . . . . 0.0 111.622 -179.409 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -64.74 -32.98 74.91 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.79 0.329 . . . . 0.0 110.848 -179.757 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . 0.425 ' CE2' HD13 ' A' ' 29' ' ' ILE . 3.4 t80 -76.02 -45.93 31.97 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 109.249 -0.648 . . . . 0.0 109.249 179.081 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 63.9 mt -59.42 -42.94 89.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 115.513 -0.767 . . . . 0.0 110.178 178.862 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -74.67 -33.15 62.42 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.387 179.602 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -67.07 -46.69 73.53 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.758 -0.656 . . . . 0.0 110.077 179.489 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . 0.425 HD13 ' CE2' ' A' ' 25' ' ' PHE . 10.5 mt -68.27 -32.13 54.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.151 179.25 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.421 ' HB2' ' CE1' ' A' ' 13' ' ' TYR . 0.8 OUTLIER -76.25 -32.31 58.8 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.174 179.184 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 4.7 m-20 -70.01 -28.67 65.68 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.925 179.731 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -80.28 -46.73 15.69 Favored 'General case' 0 CA--C 1.519 -0.24 0 N-CA-C 109.406 -0.591 . . . . 0.0 109.406 179.181 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 45.0 mt -63.62 -32.67 57.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-N 115.351 -0.84 . . . . 0.0 109.577 178.604 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 5.8 mmtt -69.01 -47.65 64.95 Favored 'General case' 0 N--CA 1.456 -0.143 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.08 179.319 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 1.2 tpm_? -68.56 -22.67 64.47 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.578 178.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -84.63 7.66 19.5 Favored 'General case' 0 CA--C 1.533 0.319 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.868 179.726 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 2.6 t 59.29 33.57 22.6 Favored 'General case' 0 N--CA 1.461 0.082 0 CA-C-O 121.061 0.458 . . . . 0.0 110.465 -179.594 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 8.5 tp -123.01 21.46 9.79 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.717 -0.674 . . . . 0.0 111.379 -179.413 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . 0.423 ' HA2' HG12 ' A' ' 42' ' ' ILE . . . -63.63 -25.31 68.76 Favored Glycine 0 C--N 1.334 0.444 0 C-N-CA 120.225 -0.988 . . . . 0.0 111.982 179.481 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -62.54 -24.56 67.58 Favored 'General case' 0 C--N 1.33 -0.244 0 O-C-N 122.451 -0.44 . . . . 0.0 110.598 179.243 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 6.2 tp -73.24 -30.72 31.8 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.437 0 CA-C-O 121.107 0.479 . . . . 0.0 110.626 179.828 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.423 HG12 ' HA2' ' A' ' 39' ' ' GLY . 18.8 pt -95.07 157.49 3.06 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.17 0 CA-C-N 115.627 -0.715 . . . . 0.0 111.362 -179.745 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 39.5 t -92.09 75.88 5.43 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 109.519 -0.548 . . . . 0.0 109.519 178.636 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.407 ' CG2' HG13 ' A' ' 42' ' ' ILE . 1.5 t -76.54 167.35 2.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.914 -178.657 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 12.7 t -91.9 90.88 7.64 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.87 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 49.4 m . . . . . 0 C--O 1.249 1.068 0 CA-C-O 118.222 -0.894 . . . . 0.0 110.922 179.942 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.485 1.311 0 CA-C-O 120.806 0.336 . . . . 0.0 111.201 . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 34.8 ttt180 -83.6 -27.11 29.43 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.517 -179.812 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.41 56.55 3.61 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.93 0.395 . . . . 0.0 111.456 -179.488 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 1.1 mt -150.41 141.49 23.04 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.715 179.722 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -68.0 161.0 27.59 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.267 179.35 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -57.35 -27.39 62.21 Favored 'General case' 0 N--CA 1.465 0.305 0 CA-C-O 120.961 0.41 . . . . 0.0 109.991 179.351 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -71.6 -39.26 70.61 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.232 179.296 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -79.27 -35.72 40.93 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.654 179.413 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 14.7 tp -72.68 -43.9 62.5 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.699 179.911 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.452 ' CG2' ' CZ ' ' A' ' 14' ' ' PHE . 49.5 mt -71.52 -35.2 55.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.264 179.639 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -62.02 -28.63 69.71 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.209 178.696 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 24.2 m -73.87 -45.67 49.53 Favored 'General case' 0 C--N 1.332 -0.192 0 N-CA-C 109.611 -0.514 . . . . 0.0 109.611 179.253 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.415 ' CE1' ' HB2' ' A' ' 30' ' ' GLU . 59.8 t80 -64.48 -38.66 91.78 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.916 -0.584 . . . . 0.0 109.82 178.834 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . 0.452 ' CZ ' ' CG2' ' A' ' 10' ' ' ILE . 8.1 m-30 -72.51 -46.02 56.62 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.581 -0.736 . . . . 0.0 110.294 179.618 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 3.5 mmpt? -65.63 -39.25 91.26 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.646 179.454 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -68.89 -38.45 79.65 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.939 -0.573 . . . . 0.0 111.821 -179.503 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 39.5 p -66.17 -32.54 74.04 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.869 0.366 . . . . 0.0 110.608 179.848 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -74.44 -45.54 45.79 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.504 -179.731 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 4.9 ptp -83.37 -14.21 53.28 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 112.295 0.48 . . . . 0.0 112.295 -179.38 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 11.6 m-80 75.09 38.95 0.41 Allowed 'General case' 0 N--CA 1.463 0.189 0 CA-C-O 121.27 0.557 . . . . 0.0 109.84 -178.806 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.415 HD23 ' CD2' ' A' ' 25' ' ' PHE . 2.4 tt -55.44 160.63 2.27 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 115.365 -0.834 . . . . 0.0 110.592 -179.76 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 4.8 t-20 -41.99 132.28 3.2 Favored 'General case' 0 N--CA 1.47 0.575 0 N-CA-C 112.15 0.426 . . . . 0.0 112.15 -179.655 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 2.3 tpp180 -55.61 -27.9 52.13 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.011 -0.541 . . . . 0.0 111.774 -179.442 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 9.5 m-20 -69.31 -36.56 77.11 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.698 0.285 . . . . 0.0 110.922 -179.744 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . 0.419 ' CD2' HD12 ' A' ' 29' ' ' ILE . 4.9 t80 -74.94 -42.3 57.98 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 109.275 -0.639 . . . . 0.0 109.275 179.13 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 57.7 mt -60.45 -44.44 96.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 115.559 -0.746 . . . . 0.0 109.896 178.783 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -72.77 -33.41 66.29 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.242 179.433 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -66.35 -47.41 73.53 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.723 -0.671 . . . . 0.0 110.038 179.491 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . 0.419 HD12 ' CD2' ' A' ' 25' ' ' PHE . 6.7 mt -67.9 -32.34 55.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.166 179.267 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.415 ' HB2' ' CE1' ' A' ' 13' ' ' TYR . 3.4 tt0 -76.33 -33.22 59.0 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.96 -0.563 . . . . 0.0 110.093 179.25 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 43.2 m-20 -68.01 -29.26 68.22 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.982 179.73 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 1.4 tp10 -80.43 -46.84 15.28 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 109.428 -0.582 . . . . 0.0 109.428 179.175 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 46.2 mt -63.68 -31.89 54.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-N 115.314 -0.857 . . . . 0.0 109.702 178.53 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 20.1 mttt -71.65 -48.37 48.21 Favored 'General case' 0 N--CA 1.456 -0.157 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.232 179.473 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 58.0 ttt180 -70.33 -23.52 62.84 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.703 179.028 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 18.7 mtt180 -82.75 5.44 21.4 Favored 'General case' 0 CA--C 1.535 0.369 0 CA-C-N 116.27 -0.423 . . . . 0.0 112.001 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 33.7 t 61.51 34.98 17.7 Favored 'General case' 0 C--O 1.232 0.147 0 CA-C-O 121.077 0.465 . . . . 0.0 110.386 -179.82 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.401 ' CD2' HD12 ' A' ' 10' ' ' ILE . 8.1 tp -123.01 26.83 7.93 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.639 -0.709 . . . . 0.0 110.567 -179.656 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -71.34 -7.2 63.27 Favored Glycine 0 C--N 1.335 0.489 0 C-N-CA 121.006 -0.616 . . . . 0.0 113.025 179.773 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 16.7 t60 -83.92 -31.74 25.48 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 109.587 -0.523 . . . . 0.0 109.587 178.795 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 6.1 tp -60.9 -33.38 55.32 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.317 0 CA-C-N 115.787 -0.642 . . . . 0.0 109.982 179.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 14.0 pt -82.51 155.61 3.94 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.19 0 CA-C-N 115.102 -0.954 . . . . 0.0 110.947 179.808 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 15.6 t -77.85 63.28 2.85 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.206 0.527 . . . . 0.0 110.182 179.393 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 24.9 t -122.78 160.31 25.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 115.741 -0.663 . . . . 0.0 111.255 -179.088 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 1.4 m -102.65 89.38 3.49 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.59 179.478 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.4 m . . . . . 0 C--O 1.249 1.039 0 CA-C-O 118.341 -0.837 . . . . 0.0 110.91 179.936 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.41 ' HE2' ' CE1' ' A' ' 25' ' ' PHE . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.391 0 CA-C-O 120.796 0.331 . . . . 0.0 111.202 . . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 6.4 ttt85 -83.11 -51.17 7.75 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.047 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -164.45 96.76 0.77 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.09 -179.895 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 2.6 mt -125.72 144.04 50.79 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.669 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.5 m -59.82 158.9 9.71 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.47 179.542 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -53.64 -28.61 33.88 Favored 'General case' 0 N--CA 1.464 0.227 0 CA-C-O 120.924 0.393 . . . . 0.0 110.268 179.722 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -68.78 -36.79 78.74 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.459 179.352 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -81.51 -38.33 26.44 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.863 -0.608 . . . . 0.0 111.176 179.595 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 12.4 tp -75.48 -36.61 60.6 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.367 -179.511 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.464 ' CG2' ' CZ ' ' A' ' 14' ' ' PHE . 70.5 mt -75.15 -40.11 43.83 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-O 120.784 0.326 . . . . 0.0 110.457 179.92 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -60.91 -28.9 69.26 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.309 178.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 1.6 t -74.81 -44.27 50.28 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-O 121.072 0.463 . . . . 0.0 109.903 179.254 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.418 ' CE1' ' HB2' ' A' ' 30' ' ' GLU . 44.6 t80 -69.58 -36.59 76.41 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.646 -0.706 . . . . 0.0 110.11 179.297 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . 0.464 ' CZ ' ' CG2' ' A' ' 10' ' ' ILE . 6.1 m-30 -75.09 -38.67 61.12 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.703 -0.681 . . . . 0.0 110.41 179.837 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 3.2 mmpt? -66.47 -54.87 19.2 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.403 179.018 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -59.59 -31.58 69.6 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.915 -0.584 . . . . 0.0 111.66 -179.623 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 5.4 p -69.85 -32.78 71.35 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.878 0.371 . . . . 0.0 110.369 179.754 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -77.6 -46.21 22.86 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.365 -179.885 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 3.1 ptt? -81.8 -15.43 54.24 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.177 -0.465 . . . . 0.0 112.186 -179.449 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 6.3 m120 73.99 39.62 0.5 Allowed 'General case' 0 N--CA 1.463 0.183 0 CA-C-O 121.139 0.495 . . . . 0.0 110.099 -178.907 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 2.6 tt -55.98 160.99 2.51 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.544 -0.753 . . . . 0.0 110.571 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 6.4 t-20 -40.86 136.53 1.41 Allowed 'General case' 0 N--CA 1.471 0.596 0 N-CA-C 112.336 0.495 . . . . 0.0 112.336 -179.65 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -55.47 -33.09 63.35 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.945 -0.571 . . . . 0.0 111.738 -179.365 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -64.56 -35.05 79.72 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.552 -0.295 . . . . 0.0 111.217 -179.502 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . 0.421 ' CD2' HD11 ' A' ' 29' ' ' ILE . 4.5 t80 -74.81 -45.31 44.31 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 109.551 -0.537 . . . . 0.0 109.551 179.389 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 45.7 mt -61.82 -41.84 92.24 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 115.7 -0.682 . . . . 0.0 110.031 179.023 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -73.58 -33.73 64.78 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.112 0.482 . . . . 0.0 110.248 179.344 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -68.64 -45.67 71.2 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.653 -0.703 . . . . 0.0 110.228 179.597 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . 0.421 HD11 ' CD2' ' A' ' 25' ' ' PHE . 10.3 mt -68.11 -32.66 56.95 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.062 179.356 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.418 ' HB2' ' CE1' ' A' ' 13' ' ' TYR . 4.7 tm-20 -76.6 -33.0 58.43 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.516 179.372 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 43.6 m-20 -67.04 -32.59 73.89 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.945 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 48.4 tt0 -79.16 -45.58 19.66 Favored 'General case' 0 C--N 1.328 -0.37 0 CA-C-O 121.317 0.579 . . . . 0.0 109.469 179.177 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 81.5 mt -63.08 -31.52 52.92 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-N 115.341 -0.845 . . . . 0.0 109.576 178.513 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 17.1 mmtt -71.59 -49.29 41.79 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.637 179.559 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.85 -22.92 63.23 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.767 179.203 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -83.71 6.66 20.23 Favored 'General case' 0 CA--C 1.533 0.319 0 N-CA-C 112.171 0.434 . . . . 0.0 112.171 -179.865 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 26.9 t 61.75 34.73 17.18 Favored 'General case' 0 C--O 1.23 0.067 0 CA-C-O 121.221 0.534 . . . . 0.0 110.182 -179.502 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 11.4 tp -122.46 22.38 9.99 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.283 -0.871 . . . . 0.0 110.762 -179.432 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -76.81 -2.14 75.34 Favored Glycine 0 C--N 1.335 0.527 0 C-N-CA 120.747 -0.74 . . . . 0.0 113.053 179.864 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 4.9 p-80 -88.99 -30.75 18.52 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 117.151 0.475 . . . . 0.0 109.934 179.147 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 5.6 tp -62.66 -38.63 82.1 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.221 0 CA-C-O 121.605 0.717 . . . . 0.0 109.25 179.353 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.415 HG22 ' CD2' ' A' ' 13' ' ' TYR . 14.1 pt -70.55 164.82 2.97 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 114.653 -1.158 . . . . 0.0 110.771 179.538 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 13.3 t -84.7 58.49 4.96 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.172 0.511 . . . . 0.0 110.086 179.311 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.41 ' CG2' ' CD1' ' A' ' 42' ' ' ILE . 21.3 t -122.59 160.63 24.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 115.72 -0.673 . . . . 0.0 111.167 -179.157 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 2.3 p -97.14 89.34 4.75 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.97 0.414 . . . . 0.0 110.49 179.473 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 77.3 p . . . . . 0 C--O 1.249 1.06 0 CA-C-O 118.232 -0.89 . . . . 0.0 110.916 179.995 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.362 0 CA-C-O 120.497 0.189 . . . . 0.0 111.01 . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 1.6 ttt180 -46.96 -35.98 7.17 Favored 'General case' 0 N--CA 1.466 0.346 0 CA-C-O 120.749 0.309 . . . . 0.0 111.754 -179.681 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 29.1 tttt -177.29 77.36 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.018 179.9 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 3.0 mt -123.56 155.41 37.68 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.93 179.769 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.9 m -60.57 149.57 34.37 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.545 179.612 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . 0.4 ' HB3' ' CD2' ' A' ' 38' ' ' LEU . 0.1 OUTLIER -60.43 -31.65 70.61 Favored 'General case' 0 C--N 1.33 -0.269 0 N-CA-C 109.822 -0.436 . . . . 0.0 109.822 179.5 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.84 -40.32 96.31 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.271 179.584 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 5.4 mp -79.79 -40.84 27.74 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.533 179.119 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 10.6 tp -61.65 -42.57 99.09 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.052 -0.522 . . . . 0.0 109.707 179.005 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.457 ' CG2' ' CE1' ' A' ' 14' ' ' PHE . 22.0 mt -73.68 -35.03 42.9 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.527 0 CA-C-N 115.688 -0.687 . . . . 0.0 109.804 178.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -61.17 -28.55 69.21 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.007 -0.542 . . . . 0.0 109.948 178.424 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -74.33 -46.45 40.75 Favored 'General case' 0 CA--C 1.52 -0.185 0 N-CA-C 109.445 -0.576 . . . . 0.0 109.445 179.104 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.415 ' CE1' ' HB2' ' A' ' 30' ' ' GLU . 74.2 t80 -62.89 -38.23 90.07 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.785 -0.643 . . . . 0.0 109.84 178.841 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . 0.457 ' CE1' ' CG2' ' A' ' 10' ' ' ILE . 5.4 m-30 -73.01 -50.0 25.62 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.498 -0.774 . . . . 0.0 110.227 179.659 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 7.9 mmpt? -61.34 -43.01 99.59 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.503 179.364 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -62.11 -39.24 91.84 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.827 -0.624 . . . . 0.0 111.807 -179.43 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 74.7 p -65.87 -32.41 73.91 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.891 0.377 . . . . 0.0 110.457 179.777 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -75.17 -47.57 27.75 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.535 -179.832 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 3.6 ptt? -81.27 -13.76 58.13 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 112.272 0.471 . . . . 0.0 112.272 -179.417 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 10.4 m120 74.52 38.3 0.51 Allowed 'General case' 0 N--CA 1.463 0.178 0 CA-C-O 121.226 0.536 . . . . 0.0 110.185 -178.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 3.2 tt -56.05 157.39 4.61 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 115.531 -0.759 . . . . 0.0 110.608 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 4.6 t-20 -43.28 131.52 4.63 Favored 'General case' 0 N--CA 1.468 0.461 0 N-CA-C 112.036 0.384 . . . . 0.0 112.036 -179.57 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -54.41 -27.09 34.45 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.976 -0.557 . . . . 0.0 111.802 -179.443 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 20.5 m-20 -67.24 -36.87 82.55 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.772 0.32 . . . . 0.0 110.824 -179.899 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . 0.421 ' CD2' HD11 ' A' ' 29' ' ' ILE . 2.5 t80 -75.65 -39.96 56.84 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 109.12 -0.696 . . . . 0.0 109.12 179.03 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . 0.417 HD13 HG23 ' A' ' 26' ' ' ILE . 67.5 mt -62.83 -47.46 92.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 115.508 -0.769 . . . . 0.0 109.82 178.688 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 3.7 tp10 -69.16 -33.69 73.81 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.236 179.407 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 1.1 tt -67.35 -46.81 72.29 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.116 179.483 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . 0.421 HD11 ' CD2' ' A' ' 25' ' ' PHE . 7.7 mt -69.39 -32.35 52.92 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.115 179.221 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.415 ' HB2' ' CE1' ' A' ' 13' ' ' TYR . 9.6 tt0 -76.79 -31.82 57.24 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.219 179.156 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 6.5 m120 -70.48 -28.56 65.08 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.89 -0.596 . . . . 0.0 110.942 179.776 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -80.37 -46.01 16.77 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 109.497 -0.557 . . . . 0.0 109.497 179.254 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 42.8 mt -63.18 -32.02 54.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-N 115.358 -0.837 . . . . 0.0 109.71 178.64 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 27.9 mttt -69.68 -48.56 59.29 Favored 'General case' 0 N--CA 1.455 -0.177 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.32 179.449 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 2.9 tpt180 -70.88 -23.86 62.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.734 179.275 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 27.9 mtt-85 -81.14 3.33 23.9 Favored 'General case' 0 CA--C 1.535 0.37 0 N-CA-C 111.998 0.369 . . . . 0.0 111.998 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 21.5 t 63.29 33.83 13.73 Favored 'General case' 0 C--O 1.231 0.111 0 CA-C-O 121.068 0.461 . . . . 0.0 110.348 -179.824 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.4 ' CD2' ' HB3' ' A' ' 6' ' ' ASP . 8.0 tp -122.47 28.1 7.55 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.647 -0.706 . . . . 0.0 110.521 -179.807 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -71.42 -7.2 63.6 Favored Glycine 0 C--N 1.336 0.573 0 C-N-CA 121.017 -0.611 . . . . 0.0 112.993 179.73 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 12.6 t60 -84.21 -32.13 24.7 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 117.331 0.566 . . . . 0.0 109.664 178.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 6.3 tp -60.99 -34.18 58.79 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.264 0 CA-C-N 115.747 -0.661 . . . . 0.0 109.963 179.163 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 14.1 pt -80.57 158.06 4.33 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.2 0 CA-C-N 115.115 -0.948 . . . . 0.0 110.903 179.81 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 24.3 t -79.22 62.34 3.57 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.28 0.562 . . . . 0.0 110.113 179.443 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 26.3 t -122.58 151.16 26.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 115.752 -0.658 . . . . 0.0 111.245 -179.219 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 2.4 m -102.95 89.55 3.49 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.929 0.395 . . . . 0.0 110.606 179.591 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.249 1.071 0 CA-C-O 118.288 -0.863 . . . . 0.0 110.872 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.486 1.36 0 CA-C-O 120.795 0.331 . . . . 0.0 111.099 . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 9.1 tpt180 -83.04 -51.11 7.84 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.988 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -169.29 90.46 0.21 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.868 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 3.4 mt -117.7 145.49 44.38 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.621 179.897 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 69.5 m -59.7 159.31 8.85 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.597 179.628 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . 0.409 ' HB3' ' CD2' ' A' ' 38' ' ' LEU . 0.8 OUTLIER -57.2 -27.47 62.0 Favored 'General case' 0 N--CA 1.467 0.391 0 CA-C-O 120.999 0.428 . . . . 0.0 110.175 179.468 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -73.34 -34.87 65.87 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.106 179.345 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -79.88 -37.11 35.51 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.639 179.323 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 15.5 tp -75.07 -46.71 32.93 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.773 -0.649 . . . . 0.0 110.827 179.864 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.457 ' CG2' ' CZ ' ' A' ' 14' ' ' PHE . 58.2 mt -67.72 -34.56 68.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.638 -179.917 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -61.67 -28.77 69.63 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.178 178.584 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -72.97 -45.05 60.18 Favored 'General case' 0 N--CA 1.455 -0.181 0 N-CA-C 109.638 -0.505 . . . . 0.0 109.638 179.291 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.415 ' CE1' ' HB2' ' A' ' 30' ' ' GLU . 59.6 t80 -64.38 -38.39 90.87 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.781 -0.645 . . . . 0.0 109.768 178.851 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . 0.457 ' CZ ' ' CG2' ' A' ' 10' ' ' ILE . 14.8 m-30 -72.72 -46.41 53.73 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.512 -0.767 . . . . 0.0 110.571 179.682 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 40.7 mtmt -64.44 -45.72 86.27 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.385 179.47 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -59.78 -37.5 79.24 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.933 -0.576 . . . . 0.0 111.669 -179.805 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 47.3 p -68.44 -32.21 72.07 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.895 0.378 . . . . 0.0 110.506 179.811 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -77.77 -44.46 27.52 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.02 -0.536 . . . . 0.0 111.61 -179.764 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 3.8 ptt? -83.79 -15.55 48.01 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 112.172 0.434 . . . . 0.0 112.172 -179.384 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 8.1 m-80 75.6 36.38 0.48 Allowed 'General case' 0 N--CA 1.464 0.268 0 CA-C-O 121.076 0.465 . . . . 0.0 110.155 -179.125 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 3.2 tt -56.12 157.68 4.51 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.606 -0.724 . . . . 0.0 110.605 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 57.8 t30 -42.37 135.56 2.63 Favored 'General case' 0 N--CA 1.47 0.534 0 N-CA-C 112.148 0.425 . . . . 0.0 112.148 -179.742 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -55.68 -27.93 52.79 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.0 -0.545 . . . . 0.0 111.773 -179.391 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -66.09 -35.68 81.16 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.718 0.294 . . . . 0.0 110.644 -179.831 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . 0.421 ' CD2' HD12 ' A' ' 29' ' ' ILE . 3.4 t80 -74.69 -43.64 54.16 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 109.259 -0.645 . . . . 0.0 109.259 178.943 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 60.6 mt -61.39 -46.32 96.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 115.499 -0.773 . . . . 0.0 110.168 178.902 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -71.0 -33.01 69.98 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.024 0.44 . . . . 0.0 110.412 179.605 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -68.11 -46.79 69.95 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.824 -0.625 . . . . 0.0 110.145 179.519 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . 0.421 HD12 ' CD2' ' A' ' 25' ' ' PHE . 9.1 mt -69.4 -32.16 52.18 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.07 179.153 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.415 ' HB2' ' CE1' ' A' ' 13' ' ' TYR . 6.9 tt0 -76.41 -32.4 58.48 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.037 -0.528 . . . . 0.0 110.202 179.025 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 7.0 m-20 -70.41 -28.02 64.74 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.937 179.754 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 10.3 tp10 -80.42 -46.88 15.23 Favored 'General case' 0 CA--C 1.519 -0.238 0 N-CA-C 109.446 -0.576 . . . . 0.0 109.446 179.112 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 40.0 mt -62.87 -32.62 56.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-N 115.371 -0.831 . . . . 0.0 109.841 178.766 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 14.4 mttt -69.0 -48.16 63.75 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.236 -0.438 . . . . 0.0 109.854 179.335 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -69.22 -25.52 64.35 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.477 179.018 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -77.51 0.65 22.01 Favored 'General case' 0 CA--C 1.534 0.357 0 CA-C-N 116.219 -0.446 . . . . 0.0 112.051 179.739 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 31.1 t 61.97 33.82 17.12 Favored 'General case' 0 C--O 1.231 0.114 0 CA-C-O 121.107 0.479 . . . . 0.0 110.089 -179.352 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.409 ' CD2' ' HB3' ' A' ' 6' ' ' ASP . 11.3 tp -123.38 24.51 8.66 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.665 -0.698 . . . . 0.0 110.913 -179.51 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . 0.432 ' HA2' HG12 ' A' ' 42' ' ' ILE . . . -61.12 -29.03 69.98 Favored Glycine 0 C--N 1.334 0.461 0 C-N-CA 120.321 -0.943 . . . . 0.0 111.905 179.811 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 3.5 t60 -59.03 -24.02 62.47 Favored 'General case' 0 C--N 1.329 -0.303 0 O-C-N 122.59 -0.359 . . . . 0.0 110.937 179.364 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 6.4 tp -76.43 -29.66 18.9 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.388 0 CA-C-O 121.067 0.46 . . . . 0.0 110.907 -179.875 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.432 HG12 ' HA2' ' A' ' 39' ' ' GLY . 15.9 pt -95.27 170.25 1.29 Allowed 'Isoleucine or valine' 0 C--N 1.333 -0.148 0 CA-C-N 115.818 -0.628 . . . . 0.0 111.202 -179.798 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 3.4 t -104.04 73.22 1.13 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.864 -0.607 . . . . 0.0 109.543 178.893 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.415 ' CG2' HG13 ' A' ' 42' ' ' ILE . 1.5 t -79.29 167.6 2.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 115.793 -0.64 . . . . 0.0 110.944 -178.717 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 39.1 m -86.79 90.43 8.3 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.79 179.842 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.248 1.018 0 CA-C-O 118.247 -0.882 . . . . 0.0 110.925 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.402 0 CA-C-O 120.824 0.345 . . . . 0.0 111.2 . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 1.6 ttt-85 -81.9 -48.86 11.0 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.008 -179.861 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -162.79 99.28 0.99 Allowed 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.911 -179.94 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 3.6 mt -135.12 143.73 46.72 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.86 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.2 m -64.66 164.66 11.58 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.428 179.458 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -57.01 -24.93 57.29 Favored 'General case' 0 N--CA 1.466 0.354 0 C-N-CA 120.811 -0.356 . . . . 0.0 110.197 179.279 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 5.2 mt-10 -72.44 -39.16 68.04 Favored 'General case' 0 N--CA 1.454 -0.266 0 CA-C-O 120.957 0.408 . . . . 0.0 110.204 179.421 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -82.13 -32.53 30.07 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.53 179.336 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 16.7 tp -75.09 -43.25 54.09 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.739 179.707 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.448 ' CG2' ' CZ ' ' A' ' 14' ' ' PHE . 72.2 mt -70.91 -36.99 66.36 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.415 179.839 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.2 -28.06 69.41 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 109.964 -0.384 . . . . 0.0 109.964 178.58 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 7.4 m -71.35 -46.62 60.06 Favored 'General case' 0 N--CA 1.455 -0.225 0 N-CA-C 109.532 -0.544 . . . . 0.0 109.532 179.17 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.411 ' CE1' ' HB2' ' A' ' 30' ' ' GLU . 79.0 t80 -65.17 -41.97 94.14 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.821 -0.627 . . . . 0.0 109.916 178.941 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . 0.448 ' CZ ' ' CG2' ' A' ' 10' ' ' ILE . 5.8 m-30 -67.45 -42.29 83.33 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.229 179.565 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 1.7 mmpt? -66.26 -49.06 68.46 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.417 179.412 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -59.83 -30.99 69.32 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.949 -0.569 . . . . 0.0 111.652 -179.721 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 68.8 p -72.73 -32.45 65.7 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 109.728 -0.471 . . . . 0.0 109.728 179.208 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -76.23 -50.74 13.66 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.046 179.471 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -81.87 -10.1 59.4 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.062 -0.517 . . . . 0.0 112.321 -179.875 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 7.0 m-20 65.34 45.76 2.79 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.176 0.513 . . . . 0.0 110.601 -179.295 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.418 HD21 ' CD2' ' A' ' 25' ' ' PHE . 2.3 tt -58.85 161.74 4.64 Favored 'General case' 0 C--N 1.332 -0.196 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.274 179.838 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 14.5 t30 -41.08 132.55 2.41 Favored 'General case' 0 N--CA 1.471 0.59 0 N-CA-C 112.181 0.438 . . . . 0.0 112.181 -179.809 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -51.94 -24.88 7.06 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 115.92 -0.582 . . . . 0.0 112.113 -179.319 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -72.59 -34.15 67.22 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.663 0.268 . . . . 0.0 111.25 -179.691 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . 0.424 ' CD2' HD12 ' A' ' 29' ' ' ILE . 2.5 t80 -76.07 -42.01 48.83 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 109.579 -0.526 . . . . 0.0 109.579 179.301 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 52.5 mt -61.67 -42.91 96.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 115.681 -0.69 . . . . 0.0 109.819 178.846 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 4.3 tt0 -74.97 -33.53 61.89 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.287 179.459 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 1.1 tt -66.92 -46.8 73.7 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.714 -0.676 . . . . 0.0 110.183 179.612 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . 0.424 HD12 ' CD2' ' A' ' 25' ' ' PHE . 6.0 mt -68.63 -32.58 55.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.01 179.252 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.411 ' HB2' ' CE1' ' A' ' 13' ' ' TYR . 1.8 tt0 -76.7 -32.87 58.14 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.366 179.234 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 39.1 m-20 -68.23 -30.25 69.26 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.98 -0.555 . . . . 0.0 111.018 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 1.7 tp10 -80.16 -46.8 15.75 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 109.391 -0.596 . . . . 0.0 109.391 179.018 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 58.7 mt -63.16 -31.96 54.59 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 CA-C-N 115.265 -0.879 . . . . 0.0 109.598 178.568 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 32.9 mmtt -70.9 -49.05 49.98 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.205 179.412 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 5.7 tmm_? -68.15 -22.85 64.83 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.609 178.913 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 10.7 mtt180 -83.9 7.05 19.42 Favored 'General case' 0 CA--C 1.533 0.306 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.967 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 5.2 t 60.23 32.61 20.88 Favored 'General case' 0 C--O 1.231 0.12 0 CA-C-O 121.027 0.441 . . . . 0.0 110.458 -179.626 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 7.3 tp -123.34 23.52 9.01 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.91 -179.41 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -69.69 -8.55 60.55 Favored Glycine 0 C--N 1.337 0.613 0 C-N-CA 120.791 -0.718 . . . . 0.0 113.033 179.822 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 81.4 t60 -81.19 -32.89 33.36 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 109.354 -0.61 . . . . 0.0 109.354 178.68 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 6.0 tp -59.16 -31.52 46.15 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.365 0 CA-C-N 115.675 -0.693 . . . . 0.0 109.984 178.809 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 15.3 pt -88.42 147.33 5.3 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.252 0 CA-C-N 115.169 -0.923 . . . . 0.0 111.2 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 7.6 t -72.59 66.39 0.71 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.204 0.526 . . . . 0.0 110.148 179.437 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 33.8 t -122.55 141.88 41.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 115.747 -0.66 . . . . 0.0 111.438 -179.045 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 6.1 t -116.93 89.25 3.07 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.421 179.317 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 6.9 m . . . . . 0 C--O 1.249 1.059 0 CA-C-O 118.193 -0.908 . . . . 0.0 110.9 -179.929 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.487 1.407 0 CA-C-O 120.842 0.353 . . . . 0.0 111.118 . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 3.9 tpt180 -83.4 -51.15 7.64 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.347 -179.698 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 6.9 mmpt? -95.88 92.73 6.66 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.409 -0.359 . . . . 0.0 111.365 -179.541 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 63.7 mt -153.36 157.8 40.55 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.776 179.723 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -93.64 161.22 14.44 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.131 179.33 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -58.44 -27.47 64.37 Favored 'General case' 0 N--CA 1.466 0.366 0 CA-C-O 120.969 0.414 . . . . 0.0 109.948 179.421 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -76.5 -35.47 58.34 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.324 179.429 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -80.11 -36.79 34.86 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.738 179.488 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 35.0 tp -75.12 -45.83 38.48 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.768 -0.651 . . . . 0.0 111.013 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.453 ' CG2' ' CZ ' ' A' ' 14' ' ' PHE . 59.8 mt -69.17 -33.8 60.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.646 -179.947 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -62.7 -28.77 70.17 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.107 178.666 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -73.02 -45.23 58.9 Favored 'General case' 0 C--N 1.331 -0.196 0 N-CA-C 109.716 -0.475 . . . . 0.0 109.716 179.427 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 71.9 t80 -66.17 -39.87 90.09 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.813 -0.63 . . . . 0.0 109.892 178.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . 0.453 ' CZ ' ' CG2' ' A' ' 10' ' ' ILE . 6.0 m-30 -70.5 -44.22 68.08 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.214 179.588 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 2.7 mmpt? -65.31 -48.16 74.06 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.343 179.249 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -60.14 -34.78 74.01 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.891 -0.595 . . . . 0.0 111.754 -179.719 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 40.4 p -69.46 -32.59 71.61 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.851 0.358 . . . . 0.0 110.277 179.637 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -76.95 -46.74 23.04 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.37 179.929 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 3.2 ptt? -83.77 -9.43 58.81 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 112.415 0.524 . . . . 0.0 112.415 -179.603 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 16.1 m-80 66.28 41.43 3.4 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.102 0.477 . . . . 0.0 110.348 -178.886 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.415 HD22 ' CD2' ' A' ' 25' ' ' PHE . 2.8 tt -57.48 159.9 4.56 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.676 -0.693 . . . . 0.0 110.422 179.843 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 30.4 t30 -42.16 137.17 1.99 Allowed 'General case' 0 N--CA 1.471 0.582 0 N-CA-C 112.121 0.415 . . . . 0.0 112.121 -179.711 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -55.21 -29.76 58.58 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.786 -179.322 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -66.2 -35.16 79.73 Favored 'General case' 0 C--N 1.327 -0.412 0 C-N-CA 120.948 -0.301 . . . . 0.0 111.152 -179.692 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . 0.415 ' CD2' HD22 ' A' ' 21' ' ' LEU . 2.6 t80 -74.38 -44.66 51.17 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 109.48 -0.563 . . . . 0.0 109.48 179.241 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 53.1 mt -61.61 -43.33 96.85 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 115.547 -0.751 . . . . 0.0 110.17 179.001 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -73.32 -34.07 65.5 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.07 0.462 . . . . 0.0 110.255 179.578 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -67.41 -46.47 73.12 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.054 179.5 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . 0.414 HD12 ' CD2' ' A' ' 25' ' ' PHE . 6.7 mt -68.86 -32.2 53.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.14 179.312 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -76.53 -32.95 58.56 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.152 179.249 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 49.6 m-20 -70.0 -28.09 65.23 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.889 -0.596 . . . . 0.0 111.005 179.808 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 8.3 tp10 -80.54 -46.73 15.31 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 109.411 -0.588 . . . . 0.0 109.411 179.219 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 44.1 mt -64.8 -32.81 59.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-N 115.286 -0.87 . . . . 0.0 109.704 178.604 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 14.9 mmtt -69.82 -44.97 68.88 Favored 'General case' 0 N--CA 1.455 -0.188 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.096 179.332 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 1.7 ttt-85 -70.94 -24.6 62.47 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.486 178.831 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 7.6 mtt180 -82.85 5.84 20.38 Favored 'General case' 0 CA--C 1.533 0.298 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.992 179.778 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 48.3 t 60.38 34.5 20.66 Favored 'General case' 0 C--O 1.232 0.158 0 CA-C-O 121.13 0.49 . . . . 0.0 110.331 -179.632 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 8.9 tp -123.04 16.87 10.02 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.717 -0.674 . . . . 0.0 111.609 -179.288 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . 0.427 ' HA2' HG12 ' A' ' 42' ' ' ILE . . . -59.56 -25.62 61.13 Favored Glycine 0 C--N 1.336 0.54 0 C-N-CA 120.219 -0.991 . . . . 0.0 112.015 179.709 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 10.8 t60 -61.19 -26.54 67.79 Favored 'General case' 0 C--N 1.33 -0.256 0 O-C-N 122.543 -0.386 . . . . 0.0 110.533 179.065 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 6.1 tp -72.18 -31.01 37.9 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.377 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.858 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.427 HG12 ' HA2' ' A' ' 39' ' ' GLY . 18.2 pt -94.9 157.49 3.05 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.188 0 CA-C-N 115.7 -0.682 . . . . 0.0 111.249 -179.767 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 38.4 t -92.3 75.0 5.33 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 109.589 -0.523 . . . . 0.0 109.589 178.7 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.414 ' CG2' HG13 ' A' ' 42' ' ' ILE . 1.5 t -75.79 129.25 37.19 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.833 -178.76 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 73.5 p -73.46 90.58 1.72 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.924 0.392 . . . . 0.0 110.782 179.893 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 89.8 p . . . . . 0 C--O 1.248 1.01 0 CA-C-O 118.244 -0.884 . . . . 0.0 110.878 -179.941 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.361 0 CA-C-O 120.904 0.383 . . . . 0.0 111.228 . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -83.24 -23.47 32.74 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.558 -179.876 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 15.1 tttt -52.16 -26.24 10.97 Favored 'General case' 0 N--CA 1.464 0.227 0 N-CA-C 111.778 0.288 . . . . 0.0 111.778 -179.601 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 5.9 mt -86.0 146.88 26.47 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.916 0.389 . . . . 0.0 110.911 -179.871 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 74.6 m -63.93 164.96 9.45 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.63 179.573 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -57.91 -25.27 60.63 Favored 'General case' 0 N--CA 1.465 0.31 0 CA-C-O 120.881 0.372 . . . . 0.0 110.058 179.347 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -73.19 -40.83 64.46 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-O 121.139 0.495 . . . . 0.0 109.99 179.251 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -78.61 -32.95 47.71 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.584 -0.735 . . . . 0.0 110.337 179.216 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 16.8 tp -75.12 -47.44 28.59 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.502 179.639 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.457 ' CG2' ' CZ ' ' A' ' 14' ' ' PHE . 49.8 mt -67.56 -40.48 84.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.412 179.827 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 27.9 mt-10 -58.9 -30.11 67.56 Favored 'General case' 0 C--O 1.22 -0.5 0 N-CA-C 109.952 -0.388 . . . . 0.0 109.952 178.519 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -67.7 -46.13 73.12 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.182 -0.463 . . . . 0.0 109.769 179.169 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 72.9 t80 -64.07 -41.05 97.48 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.151 179.069 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . 0.457 ' CZ ' ' CG2' ' A' ' 10' ' ' ILE . 7.3 m-30 -70.03 -49.02 55.5 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.393 -0.822 . . . . 0.0 111.053 -179.894 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.411 ' HD2' ' N ' ' A' ' 15' ' ' LYS . 0.0 OUTLIER -59.92 -45.25 93.19 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.471 179.84 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -61.65 -37.47 84.17 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.921 -0.582 . . . . 0.0 112.117 -179.413 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 78.1 p -67.59 -32.17 72.72 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.885 0.374 . . . . 0.0 110.596 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -77.64 -46.42 22.08 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.501 -179.868 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 4.0 ptp -81.05 -15.28 56.5 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.969 -179.711 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 10.4 m-80 75.36 36.79 0.48 Allowed 'General case' 0 N--CA 1.464 0.231 0 CA-C-O 121.11 0.481 . . . . 0.0 110.122 -179.109 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.41 HD13 ' CD2' ' A' ' 25' ' ' PHE . 3.0 tt -56.83 158.43 4.76 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.686 -0.688 . . . . 0.0 110.431 179.944 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 35.0 t30 -42.54 134.8 2.98 Favored 'General case' 0 N--CA 1.471 0.579 0 N-CA-C 112.078 0.399 . . . . 0.0 112.078 -179.57 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -56.28 -27.97 57.15 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.771 -179.396 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 1.7 t0 -65.48 -36.99 85.53 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.817 0.341 . . . . 0.0 110.693 -179.842 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . 0.424 ' CD2' HD13 ' A' ' 29' ' ' ILE . 3.3 t80 -74.23 -42.7 59.29 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 109.209 -0.663 . . . . 0.0 109.209 178.918 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 72.1 mt -60.95 -45.47 98.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 115.341 -0.845 . . . . 0.0 110.098 178.834 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -73.53 -33.27 64.65 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.437 179.75 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -67.07 -46.84 73.09 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.088 179.468 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . 0.424 HD13 ' CD2' ' A' ' 25' ' ' PHE . 8.5 mt -68.87 -32.76 55.99 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.149 179.251 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -76.66 -32.13 57.75 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.277 179.296 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 6.8 m-20 -70.3 -28.69 65.38 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.046 -0.524 . . . . 0.0 111.06 179.808 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 16.5 tp10 -80.39 -45.74 17.19 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.271 0.558 . . . . 0.0 109.561 179.202 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 46.4 mt -64.03 -32.02 55.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-N 115.317 -0.856 . . . . 0.0 109.802 178.707 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 59.9 mttt -70.73 -47.32 60.35 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.135 179.305 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 10.4 ttt85 -70.67 -23.79 62.57 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.589 179.068 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 5.7 mtt180 -83.02 5.86 20.76 Favored 'General case' 0 CA--C 1.534 0.352 0 CA-C-N 116.341 -0.391 . . . . 0.0 112.05 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 8.6 t 60.91 34.38 19.55 Favored 'General case' 0 C--O 1.232 0.141 0 CA-C-O 121.039 0.447 . . . . 0.0 110.466 -179.796 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 9.0 tp -122.6 26.92 8.07 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.676 -0.693 . . . . 0.0 110.478 -179.656 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -70.61 -7.88 62.1 Favored Glycine 0 C--N 1.336 0.566 0 C-N-CA 121.082 -0.58 . . . . 0.0 113.146 179.889 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 39.4 p-80 -83.34 -31.53 26.75 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 117.281 0.541 . . . . 0.0 109.553 178.823 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 6.2 tp -61.33 -33.49 56.85 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.296 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.046 179.161 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 13.7 pt -81.79 161.52 3.64 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.186 0 CA-C-N 115.107 -0.951 . . . . 0.0 110.926 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 42.9 t -80.33 60.64 3.84 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.172 0.511 . . . . 0.0 110.154 179.337 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 32.4 t -122.87 160.26 25.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 115.72 -0.673 . . . . 0.0 111.181 -179.041 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 72.0 p -103.29 89.43 3.4 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.982 0.42 . . . . 0.0 110.444 179.398 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 16.2 m . . . . . 0 C--O 1.248 0.988 0 CA-C-O 118.261 -0.876 . . . . 0.0 110.947 179.921 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 4.8 mmt . . . . . 0 N--CA 1.488 1.472 0 CA-C-O 120.74 0.305 . . . . 0.0 111.287 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 61.5 mtt180 -83.11 -51.28 7.66 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.297 -179.721 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 31.4 mttt -151.88 101.61 2.76 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.374 -0.375 . . . . 0.0 111.067 -179.726 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.426 ' CD2' ' N ' ' A' ' 4' ' ' LEU . 0.0 OUTLIER -128.95 141.58 51.22 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.565 179.951 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.8 m -63.46 161.06 15.03 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.328 179.438 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -55.19 -28.93 56.5 Favored 'General case' 0 N--CA 1.464 0.274 0 CA-C-O 121.014 0.435 . . . . 0.0 110.01 179.396 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -68.51 -38.94 81.35 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.499 179.582 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -80.54 -36.95 32.38 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.24 179.776 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 20.3 tp -75.47 -36.93 60.56 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.426 -179.657 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.454 ' CG2' ' CZ ' ' A' ' 14' ' ' PHE . 73.0 mt -74.34 -40.07 49.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-O 120.682 0.277 . . . . 0.0 110.809 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -61.88 -27.99 69.18 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 110.082 -0.34 . . . . 0.0 110.082 178.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -74.54 -44.97 48.58 Favored 'General case' 0 N--CA 1.456 -0.153 0 CA-C-O 121.008 0.432 . . . . 0.0 109.954 179.429 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.437 ' CD2' ' CG2' ' A' ' 42' ' ' ILE . 64.0 t80 -66.88 -36.74 82.98 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.774 -0.648 . . . . 0.0 109.904 179.043 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . 0.454 ' CZ ' ' CG2' ' A' ' 10' ' ' ILE . 7.6 m-30 -75.42 -41.17 56.65 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.522 -0.763 . . . . 0.0 110.703 179.892 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -67.02 -47.8 70.32 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.69 179.473 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -65.34 -35.85 82.24 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.989 -0.551 . . . . 0.0 111.619 -179.549 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 11.6 p -67.39 -32.4 73.27 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.977 0.417 . . . . 0.0 110.544 179.88 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -74.68 -46.29 38.9 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.416 -179.759 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 3.9 ptt? -82.73 -14.13 55.1 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.124 -0.489 . . . . 0.0 112.178 -179.387 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 11.0 m-80 74.41 38.01 0.54 Allowed 'General case' 0 N--CA 1.464 0.228 0 CA-C-O 121.164 0.506 . . . . 0.0 109.912 -178.895 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 2.7 tt -53.73 159.66 1.56 Allowed 'General case' 0 CA--C 1.531 0.219 0 CA-C-N 115.566 -0.743 . . . . 0.0 110.738 -179.928 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 30.4 t-20 -40.64 137.38 1.16 Allowed 'General case' 0 N--CA 1.472 0.636 0 N-CA-C 112.388 0.514 . . . . 0.0 112.388 -179.744 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 3.7 tpt180 -56.58 -32.06 64.84 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.959 -0.564 . . . . 0.0 111.684 -179.376 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -65.97 -35.52 80.8 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.726 0.298 . . . . 0.0 111.14 -179.603 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 5.9 t80 -73.93 -45.49 50.14 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 179.146 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . 0.411 HG21 HD11 ' A' ' 26' ' ' ILE . 47.2 mt -60.94 -46.06 97.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 115.44 -0.8 . . . . 0.0 110.031 178.838 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -68.67 -32.95 73.15 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.014 0.435 . . . . 0.0 110.166 179.302 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -68.03 -46.09 72.17 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.08 179.424 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 7.2 mt -69.91 -32.31 51.23 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.369 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.039 179.103 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 12.6 tt0 -76.88 -32.58 57.56 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.455 179.29 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 14.3 m-20 -69.37 -31.9 70.59 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.053 -179.83 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -79.28 -45.81 18.99 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 109.325 -0.62 . . . . 0.0 109.325 179.199 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 86.0 mt -62.06 -31.94 52.89 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 115.43 -0.804 . . . . 0.0 109.736 178.549 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 21.1 mttt -71.54 -49.33 41.85 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.512 179.617 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -70.51 -24.14 62.78 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.794 179.313 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 5.0 mtt-85 -82.98 6.23 19.42 Favored 'General case' 0 CA--C 1.533 0.306 0 N-CA-C 112.154 0.427 . . . . 0.0 112.154 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 3.4 t 61.71 31.91 18.46 Favored 'General case' 0 C--O 1.232 0.148 0 CA-C-O 121.072 0.463 . . . . 0.0 110.23 -179.56 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 5.3 tp -117.95 21.27 12.93 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.603 -0.726 . . . . 0.0 110.78 -179.862 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -73.39 -4.73 65.29 Favored Glycine 0 C--N 1.337 0.628 0 C-N-CA 120.88 -0.676 . . . . 0.0 113.183 179.905 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 74.6 t60 -88.55 -31.4 18.68 Favored 'General case' 0 N--CA 1.455 -0.196 0 CA-C-N 117.292 0.546 . . . . 0.0 110.401 179.599 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 5.2 tp -62.08 -38.51 81.04 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.289 0 CA-C-O 121.596 0.712 . . . . 0.0 109.368 179.517 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.437 ' CG2' ' CD2' ' A' ' 13' ' ' TYR . 13.0 pt -70.35 162.52 4.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 114.647 -1.16 . . . . 0.0 110.947 179.733 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 7.4 t -82.78 60.18 5.18 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.206 0.527 . . . . 0.0 109.986 179.24 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.418 ' CG2' ' CD1' ' A' ' 42' ' ' ILE . 29.1 t -122.54 148.05 26.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 115.656 -0.702 . . . . 0.0 111.22 -179.08 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 89.4 p -108.71 89.5 3.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.619 179.455 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 2.7 m . . . . . 0 C--O 1.25 1.085 0 CA-C-O 118.252 -0.88 . . . . 0.0 110.88 179.956 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 25.4 mmt . . . . . 0 N--CA 1.487 1.38 0 CA-C-O 120.818 0.342 . . . . 0.0 111.154 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 24.0 ttm-85 -69.37 -51.21 38.91 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.955 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -164.97 106.35 0.81 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.865 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 3.6 mt -130.62 143.41 50.73 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.661 -179.769 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 9.1 m -60.6 160.03 9.73 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.481 179.535 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -56.08 -27.0 51.85 Favored 'General case' 0 N--CA 1.465 0.291 0 CA-C-O 120.934 0.397 . . . . 0.0 110.278 179.505 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -72.87 -36.26 67.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.247 179.473 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -80.68 -36.31 32.53 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.844 179.489 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 26.7 tp -75.14 -44.08 48.96 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.889 179.927 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.458 ' CG2' ' CZ ' ' A' ' 14' ' ' PHE . 66.2 mt -70.59 -34.39 57.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.486 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 29.6 mt-10 -62.63 -28.67 70.07 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.082 178.827 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 2.0 m -72.87 -46.45 52.8 Favored 'General case' 0 C--N 1.331 -0.215 0 N-CA-C 109.692 -0.485 . . . . 0.0 109.692 179.302 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.419 ' CE1' ' HB2' ' A' ' 30' ' ' GLU . 63.2 t80 -64.58 -39.51 93.88 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.935 -0.575 . . . . 0.0 109.895 178.842 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . 0.458 ' CZ ' ' CG2' ' A' ' 10' ' ' ILE . 5.7 m-30 -70.43 -45.42 65.87 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.246 179.6 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 2.1 mmpt? -65.51 -47.6 75.44 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.448 179.463 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -61.88 -34.87 76.8 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.82 -0.627 . . . . 0.0 111.654 -179.637 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 20.7 p -69.16 -32.59 72.03 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.873 0.368 . . . . 0.0 110.378 179.705 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 -75.5 -45.86 35.81 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.059 -0.518 . . . . 0.0 111.476 -179.874 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 3.5 ptt? -82.93 -14.73 53.6 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.036 -0.529 . . . . 0.0 112.127 -179.476 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 9.8 m120 74.46 39.45 0.46 Allowed 'General case' 0 N--CA 1.462 0.17 0 CA-C-O 121.249 0.547 . . . . 0.0 110.119 -178.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 3.1 tt -55.82 158.44 3.68 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 115.537 -0.756 . . . . 0.0 110.505 -179.919 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 42.0 t-20 -41.7 132.99 2.83 Favored 'General case' 0 N--CA 1.471 0.591 0 N-CA-C 112.137 0.421 . . . . 0.0 112.137 -179.752 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 18.5 tpt180 -53.19 -29.46 32.08 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.973 -0.558 . . . . 0.0 111.974 -179.249 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -67.11 -36.09 81.16 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.77 0.319 . . . . 0.0 111.047 -179.787 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . 0.409 ' CD2' HD11 ' A' ' 29' ' ' ILE . 7.7 t80 -74.26 -43.42 57.0 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 109.237 -0.653 . . . . 0.0 109.237 179.111 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 56.7 mt -61.9 -47.32 93.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 115.464 -0.789 . . . . 0.0 109.896 178.872 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -68.82 -31.18 69.98 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.979 0.419 . . . . 0.0 110.352 179.407 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -68.74 -46.85 67.78 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.009 179.538 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . 0.409 HD11 ' CD2' ' A' ' 25' ' ' PHE . 9.0 mt -70.17 -31.93 49.12 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-O 120.972 0.415 . . . . 0.0 110.019 179.148 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.419 ' HB2' ' CE1' ' A' ' 13' ' ' TYR . 11.1 tt0 -76.75 -33.28 58.12 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.183 179.156 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 17.1 m-20 -69.09 -29.88 68.06 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.982 179.884 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 8.1 tp10 -80.17 -45.37 18.22 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.249 0.547 . . . . 0.0 109.541 179.204 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 73.5 mt -64.42 -33.48 63.14 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-N 115.385 -0.825 . . . . 0.0 109.62 178.71 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 11.1 mttt -68.19 -47.27 68.39 Favored 'General case' 0 N--CA 1.454 -0.227 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.017 179.388 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 25.8 ttt180 -70.54 -25.51 63.14 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.708 179.291 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 28.8 mtt180 -79.41 1.91 23.67 Favored 'General case' 0 CA--C 1.534 0.339 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.89 179.677 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 8.5 t 61.39 34.28 18.37 Favored 'General case' 0 C--O 1.231 0.128 0 CA-C-O 121.023 0.44 . . . . 0.0 110.034 -179.315 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 9.5 tp -123.17 18.12 9.94 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.631 -0.713 . . . . 0.0 111.201 -179.501 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -59.31 -28.8 64.99 Favored Glycine 0 C--N 1.335 0.526 0 C-N-CA 120.526 -0.845 . . . . 0.0 111.903 179.35 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 20.3 p-80 -58.9 -27.75 65.53 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.875 0.369 . . . . 0.0 110.441 179.175 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.4 HG22 ' N ' ' A' ' 42' ' ' ILE . 6.1 tp -71.56 -32.39 45.73 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.281 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.231 179.618 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.415 ' HB ' ' CE2' ' A' ' 13' ' ' TYR . 14.7 pt -97.31 -174.92 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.16 0 CA-C-N 115.702 -0.681 . . . . 0.0 111.306 -179.648 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 5.8 t -101.04 79.93 2.07 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 108.721 -0.844 . . . . 0.0 108.721 178.088 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.4 HG22 ' CG1' ' A' ' 42' ' ' ILE . 1.7 t -89.2 112.9 24.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.919 -178.539 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 11.4 t -94.03 89.93 6.23 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.569 179.701 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.249 1.057 0 CA-C-O 118.181 -0.914 . . . . 0.0 110.922 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.485 1.317 0 CA-C-O 120.773 0.321 . . . . 0.0 111.084 . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 3.1 tpt180 -67.66 -51.07 54.2 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.952 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 3.4 pttm -171.85 99.65 0.18 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.898 179.859 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 3.6 mt -125.47 143.9 50.78 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.628 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.2 m -60.54 160.36 9.11 Favored 'General case' 0 CA--C 1.519 -0.24 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.366 179.438 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -53.32 -28.59 29.28 Favored 'General case' 0 N--CA 1.465 0.284 0 CA-C-O 121.012 0.434 . . . . 0.0 110.205 179.61 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -67.0 -38.16 85.49 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.384 179.426 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -82.16 -36.77 27.05 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.974 -0.557 . . . . 0.0 111.178 179.515 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 17.0 tp -75.25 -37.2 61.1 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.381 -179.761 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.458 ' CG2' ' CZ ' ' A' ' 14' ' ' PHE . 62.4 mt -74.91 -40.25 45.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.462 179.911 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -61.31 -28.33 69.12 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.127 178.907 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 1.7 t -74.22 -44.26 53.86 Favored 'General case' 0 CA--C 1.52 -0.174 0 N-CA-C 109.773 -0.455 . . . . 0.0 109.773 179.249 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.446 ' CD2' ' CG2' ' A' ' 42' ' ' ILE . 80.9 t80 -67.74 -39.22 84.26 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.711 -0.677 . . . . 0.0 109.815 179.057 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . 0.458 ' CZ ' ' CG2' ' A' ' 10' ' ' ILE . 10.1 m-30 -72.81 -40.5 65.77 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.531 -0.759 . . . . 0.0 110.595 179.819 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 3.0 mmpt? -66.36 -48.52 69.94 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.407 179.264 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -59.07 -35.7 73.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.825 -0.625 . . . . 0.0 111.632 -179.647 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 68.4 p -70.02 -32.47 70.64 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.882 0.373 . . . . 0.0 110.351 179.661 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -77.41 -44.76 28.06 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.408 -179.802 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 4.0 ptp -83.92 -15.5 47.73 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 112.217 0.451 . . . . 0.0 112.217 -179.356 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 17.4 m-20 74.84 37.69 0.5 Allowed 'General case' 0 N--CA 1.463 0.186 0 CA-C-O 121.135 0.493 . . . . 0.0 110.092 -178.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 3.0 tt -56.37 158.64 4.12 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 115.556 -0.747 . . . . 0.0 110.652 -179.893 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 37.8 t-20 -43.22 136.69 2.86 Favored 'General case' 0 N--CA 1.469 0.501 0 N-CA-C 112.105 0.409 . . . . 0.0 112.105 -179.681 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 10.7 tpt180 -56.72 -31.11 64.18 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.953 -0.567 . . . . 0.0 111.57 -179.462 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 52.4 m-20 -64.46 -35.12 79.89 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 120.77 0.319 . . . . 0.0 110.964 -179.62 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . 0.409 ' CD2' HD13 ' A' ' 29' ' ' ILE . 6.4 t80 -74.54 -43.73 54.45 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 109.291 -0.633 . . . . 0.0 109.291 179.04 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . 0.424 HD13 HG22 ' A' ' 26' ' ' ILE . 53.8 mt -60.37 -46.27 95.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 115.559 -0.746 . . . . 0.0 110.117 178.893 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -68.27 -33.33 74.16 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.136 0.493 . . . . 0.0 110.235 179.375 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -68.51 -46.12 70.45 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.689 -0.687 . . . . 0.0 110.175 179.615 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . 0.409 HD13 ' CD2' ' A' ' 25' ' ' PHE . 8.4 mt -69.65 -32.7 53.46 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.313 -0.403 . . . . 0.0 109.96 179.183 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 9.1 tt0 -77.16 -32.25 56.13 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.557 179.405 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -70.1 -30.08 67.2 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.14 -179.905 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 3.6 tp10 -80.36 -45.05 18.42 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 109.627 -0.508 . . . . 0.0 109.627 179.273 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 64.3 mt -63.23 -31.84 54.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-N 115.482 -0.781 . . . . 0.0 109.755 178.727 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 24.9 mttt -71.32 -49.17 45.32 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.66 179.707 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -70.61 -23.55 62.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.822 179.291 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 13.1 mtt180 -82.82 5.56 21.18 Favored 'General case' 0 CA--C 1.533 0.311 0 N-CA-C 112.16 0.43 . . . . 0.0 112.16 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 4.5 t 61.51 33.88 18.26 Favored 'General case' 0 C--O 1.231 0.094 0 CA-C-O 121.133 0.492 . . . . 0.0 110.185 -179.502 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 12.8 tp -117.64 3.85 12.36 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.443 -0.798 . . . . 0.0 111.599 -179.622 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . 0.445 ' HA2' HG12 ' A' ' 42' ' ' ILE . . . -56.65 -24.36 47.45 Favored Glycine 0 C--N 1.34 0.806 0 C-N-CA 120.485 -0.864 . . . . 0.0 112.372 179.88 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 18.0 t60 -62.8 -17.41 61.16 Favored 'General case' 0 C--N 1.329 -0.304 0 O-C-N 122.628 -0.336 . . . . 0.0 111.28 179.393 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.406 HG12 ' CD1' ' A' ' 10' ' ' ILE . 5.8 tp -84.87 -37.48 12.46 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.305 0 CA-C-O 121.236 0.541 . . . . 0.0 110.716 -179.444 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.446 ' CG2' ' CD2' ' A' ' 13' ' ' TYR . 12.3 pt -82.13 158.1 3.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 115.449 -0.796 . . . . 0.0 111.436 -179.705 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 4.9 t -91.75 72.83 5.79 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.962 -0.563 . . . . 0.0 109.622 178.851 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.408 ' CG2' HG13 ' A' ' 42' ' ' ILE . 1.6 t -77.03 140.0 17.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.907 -178.763 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 1.4 m -79.78 90.54 5.25 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.874 179.882 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 16.9 t . . . . . 0 C--O 1.249 1.033 0 CA-C-O 118.288 -0.863 . . . . 0.0 110.817 -179.942 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.373 0 CA-C-O 120.786 0.327 . . . . 0.0 111.251 . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 15.4 mtt-85 -82.99 -51.06 7.91 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.982 -179.925 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 3.4 mmtp -147.16 116.91 7.13 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.027 -179.892 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 1.1 mt -148.61 141.5 24.72 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.687 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 20.2 m -63.87 161.85 14.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.364 179.469 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -59.0 -26.02 64.15 Favored 'General case' 0 N--CA 1.466 0.357 0 N-CA-C 110.003 -0.369 . . . . 0.0 110.003 179.461 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -75.37 -35.93 61.01 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.319 179.517 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -80.1 -36.2 35.75 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.762 179.529 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 27.3 tp -74.98 -45.37 42.55 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.903 -0.589 . . . . 0.0 110.87 179.902 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.456 ' CG2' ' CZ ' ' A' ' 14' ' ' PHE . 60.2 mt -69.27 -35.82 69.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.598 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 24.5 mt-10 -62.2 -28.86 69.97 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 109.992 -0.373 . . . . 0.0 109.992 178.53 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 2.0 m -70.66 -45.28 65.41 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 121.122 0.487 . . . . 0.0 109.806 179.245 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.417 ' CD2' HG23 ' A' ' 42' ' ' ILE . 78.4 t80 -65.33 -40.6 93.9 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.743 -0.662 . . . . 0.0 109.953 179.083 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . 0.456 ' CZ ' ' CG2' ' A' ' 10' ' ' ILE . 10.2 m-30 -69.66 -45.86 67.44 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.584 -0.734 . . . . 0.0 110.64 179.751 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -63.76 -45.48 89.61 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.583 179.518 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -62.19 -35.75 79.8 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.769 -179.612 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 59.9 p -68.79 -32.34 71.99 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 120.915 0.388 . . . . 0.0 110.509 179.796 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -77.2 -45.07 27.84 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.551 -179.774 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 3.9 ptt? -83.45 -15.78 48.27 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 112.144 0.424 . . . . 0.0 112.144 -179.42 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 11.9 m-80 75.04 37.22 0.49 Allowed 'General case' 0 N--CA 1.463 0.207 0 CA-C-O 121.117 0.484 . . . . 0.0 109.939 -178.938 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 2.7 tt -55.05 160.13 2.17 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.57 -0.741 . . . . 0.0 110.718 -179.927 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 30.8 t-20 -42.52 134.22 3.13 Favored 'General case' 0 N--CA 1.47 0.558 0 CA-C-O 120.982 0.42 . . . . 0.0 112.079 -179.661 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 3.8 tpt180 -54.98 -27.04 40.9 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.964 -0.562 . . . . 0.0 111.893 -179.355 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -68.14 -35.73 78.54 Favored 'General case' 0 C--N 1.327 -0.395 0 C-N-CA 121.005 -0.278 . . . . 0.0 111.02 -179.717 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 3.3 t80 -75.23 -42.78 54.55 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 109.416 -0.587 . . . . 0.0 109.416 179.225 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . 0.461 HD13 HG23 ' A' ' 26' ' ' ILE . 56.2 mt -60.92 -43.01 94.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 115.577 -0.738 . . . . 0.0 109.985 178.858 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -74.99 -32.99 61.8 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.349 179.573 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -67.87 -46.16 72.48 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.76 -0.655 . . . . 0.0 110.223 179.696 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 8.7 mt -69.35 -32.44 53.4 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.197 179.302 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.412 ' HB2' ' CE1' ' A' ' 13' ' ' TYR . 1.1 tt0 -76.63 -32.43 58.02 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.96 -0.563 . . . . 0.0 110.207 179.231 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 51.6 m-20 -70.55 -28.44 64.91 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.928 -0.578 . . . . 0.0 111.057 179.857 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 6.8 tt0 -80.5 -46.82 15.22 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 109.436 -0.579 . . . . 0.0 109.436 179.157 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 50.9 mt -64.04 -31.96 55.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-N 115.35 -0.841 . . . . 0.0 109.692 178.641 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 19.8 mmtt -70.57 -47.44 60.23 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.216 179.275 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -69.67 -23.46 63.46 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.573 178.919 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 6.7 mtp180 -83.37 6.17 20.88 Favored 'General case' 0 CA--C 1.533 0.304 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.948 179.827 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 3.3 t 60.91 34.15 19.63 Favored 'General case' 0 C--O 1.23 0.077 0 CA-C-O 121.075 0.464 . . . . 0.0 110.368 -179.661 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 9.0 tp -123.2 15.19 9.8 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.658 -0.701 . . . . 0.0 111.664 -179.383 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . 0.434 ' HA2' HG12 ' A' ' 42' ' ' ILE . . . -58.83 -25.93 59.77 Favored Glycine 0 C--N 1.338 0.648 0 C-N-CA 120.183 -1.008 . . . . 0.0 111.96 179.551 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 9.9 p-80 -60.76 -24.48 65.78 Favored 'General case' 0 C--N 1.328 -0.338 0 O-C-N 122.585 -0.362 . . . . 0.0 110.526 178.916 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 6.2 tp -74.51 -31.66 28.19 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.364 0 CA-C-O 121.059 0.457 . . . . 0.0 110.863 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.434 HG12 ' HA2' ' A' ' 39' ' ' GLY . 15.5 pt -93.15 154.06 3.27 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 CA-C-N 115.725 -0.67 . . . . 0.0 111.309 -179.879 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 29.0 t -88.39 74.86 8.55 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.026 -0.534 . . . . 0.0 109.627 178.775 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.42 ' CG2' HG13 ' A' ' 42' ' ' ILE . 1.6 t -75.86 156.86 5.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 115.791 -0.641 . . . . 0.0 110.949 -178.709 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 1.3 m -116.99 91.52 3.6 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.836 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.249 1.039 0 CA-C-O 118.209 -0.901 . . . . 0.0 110.834 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.408 ' CE ' ' CD2' ' A' ' 28' ' ' LEU . 5.7 tpp . . . . . 0 N--CA 1.486 1.355 0 CA-C-O 120.749 0.309 . . . . 0.0 111.053 . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 4.7 ttp180 -83.66 -51.17 7.5 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.859 -179.559 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 6.7 mttt -105.61 89.35 3.07 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.765 0.317 . . . . 0.0 111.621 -179.235 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -151.12 141.4 22.33 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.832 179.346 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.7 p -85.48 161.57 19.32 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.107 -0.497 . . . . 0.0 109.91 179.269 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -58.77 -26.18 63.78 Favored 'General case' 0 N--CA 1.466 0.354 0 C-N-CA 120.711 -0.395 . . . . 0.0 110.072 179.539 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -75.52 -37.62 59.97 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.381 179.426 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -80.99 -34.46 32.95 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.872 -0.603 . . . . 0.0 110.668 179.482 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 20.2 tp -75.18 -43.71 50.69 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.877 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.45 ' CG2' ' CZ ' ' A' ' 14' ' ' PHE . 60.4 mt -71.58 -34.4 52.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.53 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -63.69 -28.66 70.05 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.174 178.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 77.6 p -74.67 -43.03 57.3 Favored 'General case' 0 C--N 1.331 -0.2 0 N-CA-C 109.722 -0.473 . . . . 0.0 109.722 179.389 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.419 ' CD2' HG23 ' A' ' 42' ' ' ILE . 74.7 t80 -66.53 -38.83 87.99 Favored 'General case' 0 C--N 1.331 -0.211 0 N-CA-C 109.558 -0.534 . . . . 0.0 109.558 178.749 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . 0.45 ' CZ ' ' CG2' ' A' ' 10' ' ' ILE . 6.4 m-30 -72.0 -46.85 55.7 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.522 -0.763 . . . . 0.0 110.309 179.704 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 2.8 mmpt? -64.11 -45.1 90.12 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.408 179.337 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -63.15 -38.18 90.15 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.773 -0.648 . . . . 0.0 111.672 -179.627 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 24.7 p -66.17 -32.48 73.94 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.859 0.361 . . . . 0.0 110.555 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 5.0 mt-10 -75.35 -46.33 33.8 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.508 -179.718 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 3.7 ptt? -82.1 -14.19 56.13 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.217 -0.447 . . . . 0.0 112.187 -179.436 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 1.2 m-20 74.56 39.43 0.45 Allowed 'General case' 0 N--CA 1.461 0.123 0 CA-C-O 121.197 0.523 . . . . 0.0 110.084 -178.839 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 2.8 tt -55.57 159.3 2.96 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 115.479 -0.782 . . . . 0.0 110.448 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 50.0 t30 -42.14 132.52 3.27 Favored 'General case' 0 N--CA 1.471 0.599 0 N-CA-C 112.088 0.403 . . . . 0.0 112.088 -179.757 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 2.2 tpp180 -54.62 -27.14 37.36 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.956 -0.565 . . . . 0.0 111.836 -179.342 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 1.4 t0 -68.8 -37.03 78.96 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.738 0.304 . . . . 0.0 110.952 -179.86 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . 0.417 ' CD2' HD13 ' A' ' 29' ' ' ILE . 5.9 t80 -74.99 -41.54 59.3 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 109.5 -0.555 . . . . 0.0 109.5 179.219 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . 0.46 HD12 HG23 ' A' ' 26' ' ' ILE . 59.3 mt -62.18 -42.89 96.9 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 115.561 -0.745 . . . . 0.0 109.955 178.929 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -73.51 -33.43 64.77 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.005 0.431 . . . . 0.0 110.199 179.296 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.408 ' CD2' ' CE ' ' A' ' 1' ' ' MET . 0.4 OUTLIER -65.51 -47.71 75.04 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.727 -0.669 . . . . 0.0 109.982 179.367 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . 0.417 HD13 ' CD2' ' A' ' 25' ' ' PHE . 7.3 mt -68.13 -32.11 54.62 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.376 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.207 179.248 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -75.96 -33.31 59.78 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.087 179.22 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 52.6 m-20 -68.2 -29.14 67.92 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.872 -0.603 . . . . 0.0 110.949 179.69 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -80.46 -47.17 14.72 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 109.464 -0.569 . . . . 0.0 109.464 179.077 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 48.5 mt -63.66 -31.96 55.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-N 115.307 -0.86 . . . . 0.0 109.654 178.632 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 14.3 mttt -71.51 -47.67 53.81 Favored 'General case' 0 N--CA 1.455 -0.189 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.217 179.462 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 6.2 ttt180 -71.0 -23.44 62.19 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.683 178.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 78.6 mtt180 -83.03 5.46 22.19 Favored 'General case' 0 CA--C 1.534 0.351 0 CA-C-N 116.33 -0.396 . . . . 0.0 111.937 179.876 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 47.7 t 61.42 35.12 17.91 Favored 'General case' 0 C--O 1.231 0.098 0 CA-C-O 121.083 0.468 . . . . 0.0 110.407 -179.922 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 8.2 tp -123.14 25.17 8.58 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.725 -0.671 . . . . 0.0 110.687 -179.592 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -69.02 -9.56 60.18 Favored Glycine 0 C--N 1.336 0.572 0 C-N-CA 120.982 -0.627 . . . . 0.0 112.963 179.815 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -81.7 -29.15 33.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 117.363 0.582 . . . . 0.0 109.889 178.944 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 6.2 tp -64.55 -33.07 60.6 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.303 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.207 179.316 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.419 HG23 ' CD2' ' A' ' 13' ' ' TYR . 12.1 pt -81.32 154.3 4.19 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.196 0 CA-C-N 115.24 -0.891 . . . . 0.0 110.94 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 48.2 t -75.69 64.16 1.69 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.131 0.491 . . . . 0.0 110.026 179.405 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 38.1 t -122.88 147.59 27.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 115.732 -0.667 . . . . 0.0 111.252 -179.139 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 1.4 p -107.31 89.39 2.98 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.577 179.485 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 72.2 p . . . . . 0 C--O 1.248 0.975 0 CA-C-O 118.287 -0.863 . . . . 0.0 110.973 179.971 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 17.7 mmt . . . . . 0 N--CA 1.489 1.475 0 CA-C-O 120.874 0.368 . . . . 0.0 111.195 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 56.2 ttt180 -83.04 -51.22 7.74 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.053 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 34.7 tttm -160.63 100.04 1.29 Allowed 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.046 -179.92 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 3.6 mt -128.26 145.58 51.0 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.746 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 58.0 m -59.72 160.67 7.1 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.333 179.282 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -54.14 -29.29 44.64 Favored 'General case' 0 N--CA 1.466 0.345 0 CA-C-O 120.967 0.413 . . . . 0.0 110.136 179.585 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -68.83 -37.03 78.9 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.378 179.453 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -82.25 -37.48 25.86 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.046 179.576 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 18.8 tp -75.22 -37.54 61.06 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.223 -179.816 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.46 ' CG2' ' CZ ' ' A' ' 14' ' ' PHE . 62.8 mt -75.83 -37.35 34.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-O 120.837 0.351 . . . . 0.0 110.326 179.8 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 32.1 mt-10 -62.22 -29.2 70.22 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.211 178.921 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 95.7 p -74.71 -43.76 53.43 Favored 'General case' 0 C--N 1.331 -0.214 0 N-CA-C 109.826 -0.435 . . . . 0.0 109.826 179.26 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.447 ' CD2' ' CG2' ' A' ' 42' ' ' ILE . 59.8 t80 -68.19 -37.78 81.29 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.823 -0.626 . . . . 0.0 109.857 178.945 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . 0.46 ' CZ ' ' CG2' ' A' ' 10' ' ' ILE . 8.1 m-30 -73.92 -41.37 62.17 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.698 -0.683 . . . . 0.0 110.481 179.835 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 1.5 mmpt? -64.94 -48.68 73.22 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.649 179.323 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -64.18 -35.21 80.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.935 -0.575 . . . . 0.0 111.759 -179.493 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 16.2 p -66.21 -32.71 74.3 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.895 0.379 . . . . 0.0 110.512 179.791 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -74.86 -48.69 23.64 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.298 -179.884 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 3.7 ptt? -80.35 -12.02 59.64 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.032 -0.531 . . . . 0.0 112.359 -179.472 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER 72.51 42.34 0.53 Allowed 'General case' 0 N--CA 1.463 0.224 0 CA-C-O 121.22 0.533 . . . . 0.0 109.966 -179.004 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.418 HD13 ' CD2' ' A' ' 25' ' ' PHE . 2.9 tt -57.11 158.3 5.26 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.499 -0.773 . . . . 0.0 110.52 -179.894 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 61.8 t30 -42.97 136.66 2.65 Favored 'General case' 0 N--CA 1.471 0.587 0 N-CA-C 112.159 0.429 . . . . 0.0 112.159 -179.645 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.81 -32.02 63.18 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.966 -0.561 . . . . 0.0 111.823 -179.354 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -65.32 -35.59 81.46 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.718 0.294 . . . . 0.0 111.202 -179.51 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . 0.44 ' CD2' ' CD1' ' A' ' 29' ' ' ILE . 8.3 t80 -74.79 -44.53 49.05 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 109.263 -0.643 . . . . 0.0 109.263 179.184 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 52.5 mt -61.07 -46.14 97.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 115.527 -0.76 . . . . 0.0 110.092 178.851 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 5.2 tt0 -69.22 -32.64 72.02 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.999 0.428 . . . . 0.0 110.07 179.303 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -66.92 -46.99 73.1 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.706 -0.679 . . . . 0.0 109.812 179.223 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . 0.44 ' CD1' ' CD2' ' A' ' 25' ' ' PHE . 8.8 mt -68.81 -32.13 53.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.014 179.085 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 8.7 tt0 -76.45 -32.25 58.32 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.311 179.321 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 53.4 m-20 -67.54 -34.74 77.7 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.891 179.79 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 7.2 tt0 -77.03 -46.06 25.04 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 109.353 -0.61 . . . . 0.0 109.353 179.146 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 85.2 mt -61.2 -31.93 51.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 115.381 -0.827 . . . . 0.0 109.691 178.599 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 11.2 mttt -71.79 -49.41 39.07 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.452 179.647 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.75 -24.22 62.57 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.627 179.377 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -83.11 5.89 21.0 Favored 'General case' 0 CA--C 1.532 0.276 0 N-CA-C 112.159 0.429 . . . . 0.0 112.159 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 23.1 t 61.88 32.75 17.89 Favored 'General case' 0 C--O 1.231 0.11 0 CA-C-O 121.23 0.538 . . . . 0.0 110.285 -179.415 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 3.5 tp -120.87 17.25 11.81 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.523 -0.762 . . . . 0.0 110.995 -179.783 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -71.36 -7.31 63.6 Favored Glycine 0 C--N 1.337 0.625 0 C-N-CA 120.567 -0.825 . . . . 0.0 112.807 179.524 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 2.7 p-80 -81.26 -29.38 34.4 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 117.238 0.519 . . . . 0.0 110.247 179.348 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 5.6 tp -67.2 -36.36 76.6 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.331 0 CA-C-O 121.423 0.63 . . . . 0.0 110.014 179.823 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.447 ' CG2' ' CD2' ' A' ' 13' ' ' TYR . 16.4 pt -82.32 160.73 3.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 114.937 -1.029 . . . . 0.0 111.283 -179.814 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 31.3 t -96.06 74.13 3.0 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 109.638 -0.504 . . . . 0.0 109.638 178.751 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.402 ' CG2' HG13 ' A' ' 42' ' ' ILE . 1.6 t -78.09 141.13 15.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 115.738 -0.664 . . . . 0.0 110.967 -178.64 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 14.3 t -99.72 90.91 4.62 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.865 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 10.8 m . . . . . 0 C--O 1.249 1.066 0 CA-C-O 118.234 -0.888 . . . . 0.0 110.912 179.99 . . . . . . . . 0 0 . 1 . 021 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 17.2 mmt . . . . . 0 N--CA 1.486 1.357 0 CA-C-O 120.809 0.338 . . . . 0.0 111.087 . . . . . . . . . 0 0 . 1 . 021 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 4.0 ttt-85 -83.15 -51.53 7.41 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.088 -179.916 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 5.3 tppt? -178.5 89.1 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.963 -179.998 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 5.5 mt -131.02 144.73 51.68 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.787 -179.947 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 57.9 m -61.42 163.34 6.82 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.543 179.486 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -57.46 -24.59 56.61 Favored 'General case' 0 N--CA 1.464 0.274 0 CA-C-O 120.792 0.33 . . . . 0.0 110.344 179.43 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -72.68 -36.82 67.97 Favored 'General case' 0 N--CA 1.454 -0.246 0 CA-C-O 120.912 0.387 . . . . 0.0 110.289 179.474 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -81.76 -34.43 30.42 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.504 179.332 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 38.8 tp -75.44 -45.55 38.02 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.918 179.738 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.457 ' CG2' ' CZ ' ' A' ' 14' ' ' PHE . 86.7 mt -68.93 -37.82 77.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.832 -179.808 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -60.91 -28.69 69.11 Favored 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 109.798 -0.445 . . . . 0.0 109.798 178.35 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 13.5 m -68.82 -47.65 65.52 Favored 'General case' 0 N--CA 1.455 -0.177 0 CA-C-O 121.069 0.461 . . . . 0.0 109.855 179.21 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.424 ' CE2' ' HB ' ' A' ' 42' ' ' ILE . 67.8 t80 -64.61 -36.25 83.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.353 179.212 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . 0.457 ' CZ ' ' CG2' ' A' ' 10' ' ' ILE . 6.9 m-30 -74.61 -41.92 59.58 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.571 -0.741 . . . . 0.0 110.525 -179.955 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 1.8 mtpt -67.05 -52.8 37.69 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.158 179.296 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -59.44 -30.82 68.77 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.795 -0.639 . . . . 0.0 111.552 -179.905 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 5.3 p -71.86 -32.35 67.4 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 109.92 -0.4 . . . . 0.0 109.92 179.259 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 13.3 mt-10 -76.91 -51.63 10.86 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.943 -0.571 . . . . 0.0 111.088 179.49 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -77.72 -15.78 58.9 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.971 -179.92 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 11.4 m120 73.32 42.89 0.4 Allowed 'General case' 0 N--CA 1.464 0.258 0 CA-C-O 121.17 0.509 . . . . 0.0 110.387 -179.477 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 2.6 tt -58.67 159.31 6.79 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.747 -0.66 . . . . 0.0 110.428 179.932 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 39.2 t-20 -40.9 138.16 1.09 Allowed 'General case' 0 N--CA 1.472 0.631 0 N-CA-C 112.3 0.481 . . . . 0.0 112.3 -179.613 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 3.3 ttt180 -55.21 -30.71 60.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.844 -0.616 . . . . 0.0 111.876 -179.338 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 43.3 m-20 -66.18 -33.91 76.84 Favored 'General case' 0 C--N 1.326 -0.431 0 C-N-CA 121.009 -0.277 . . . . 0.0 111.106 -179.523 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . 0.425 ' CD2' HD12 ' A' ' 29' ' ' ILE . 2.5 t80 -75.39 -45.12 41.07 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 109.518 -0.549 . . . . 0.0 109.518 179.289 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 45.7 mt -61.71 -42.53 94.69 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 115.562 -0.745 . . . . 0.0 110.029 178.989 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -73.59 -33.54 64.66 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.228 179.514 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -67.32 -46.73 72.62 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.782 -0.645 . . . . 0.0 110.075 179.572 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . 0.425 HD12 ' CD2' ' A' ' 25' ' ' PHE . 10.9 mt -68.9 -32.53 55.01 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.055 179.08 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -76.51 -33.18 58.62 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.326 179.338 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 13.2 m-20 -69.7 -28.5 65.89 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.895 -0.593 . . . . 0.0 111.122 179.991 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 20.0 tp10 -80.73 -46.74 15.01 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 109.424 -0.584 . . . . 0.0 109.424 179.236 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 46.8 mt -64.56 -32.59 58.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-N 115.355 -0.839 . . . . 0.0 109.71 178.699 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 16.9 mmtt -69.56 -45.25 69.14 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.237 179.436 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.85 -24.04 62.44 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.477 178.729 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 3.4 mtt-85 -83.78 7.1 18.91 Favored 'General case' 0 CA--C 1.534 0.355 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.961 179.888 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 10.3 t 58.78 34.6 23.84 Favored 'General case' 0 C--O 1.232 0.147 0 CA-C-O 120.961 0.41 . . . . 0.0 110.488 -179.639 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 8.6 tp -122.88 15.47 10.06 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.753 -0.658 . . . . 0.0 111.514 -179.457 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . 0.425 ' HA2' HG12 ' A' ' 42' ' ' ILE . . . -59.23 -24.57 59.0 Favored Glycine 0 C--N 1.339 0.726 0 C-N-CA 120.313 -0.946 . . . . 0.0 112.062 179.682 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 32.2 p-80 -62.58 -26.69 68.73 Favored 'General case' 0 C--N 1.327 -0.388 0 O-C-N 122.46 -0.435 . . . . 0.0 110.392 179.034 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.4 HG12 ' CD1' ' A' ' 10' ' ' ILE . 5.6 tp -71.68 -30.34 37.87 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.439 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.769 179.96 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.425 HG12 ' HA2' ' A' ' 39' ' ' GLY . 17.5 pt -94.77 156.57 3.14 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.174 0 CA-C-N 115.714 -0.675 . . . . 0.0 111.43 -179.663 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 2.2 t -91.24 72.88 6.23 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 109.474 -0.565 . . . . 0.0 109.474 178.658 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 1.6 t -71.39 139.51 19.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 115.727 -0.67 . . . . 0.0 110.826 -178.868 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 26.7 m -69.39 90.11 0.51 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.719 179.92 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 14.7 t . . . . . 0 C--O 1.25 1.096 0 CA-C-O 118.213 -0.898 . . . . 0.0 110.818 179.953 . . . . . . . . 0 0 . 1 . 022 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.399 0 CA-C-O 120.782 0.325 . . . . 0.0 111.128 . . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 10.3 mtm105 -76.53 -51.13 12.29 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.939 -179.88 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -157.23 114.28 3.04 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.957 179.966 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 2.8 mt -144.6 143.96 31.04 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.613 179.899 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 14.3 m -59.99 159.76 8.87 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.439 179.625 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -56.68 -25.26 53.46 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-O 120.832 0.349 . . . . 0.0 110.51 179.62 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -74.55 -36.05 63.09 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.349 179.548 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -79.35 -37.35 37.68 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.901 -0.59 . . . . 0.0 110.824 179.533 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 36.5 tp -75.15 -45.26 41.99 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.848 -0.615 . . . . 0.0 111.155 -179.88 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.452 ' CG2' ' CZ ' ' A' ' 14' ' ' PHE . 72.4 mt -69.19 -34.35 62.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.678 -179.987 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -62.3 -28.81 69.99 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.146 178.645 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -72.9 -45.83 56.01 Favored 'General case' 0 C--N 1.331 -0.231 0 N-CA-C 109.8 -0.444 . . . . 0.0 109.8 179.45 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.423 ' CE2' ' HB ' ' A' ' 42' ' ' ILE . 63.0 t80 -65.73 -37.97 87.86 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.929 -0.578 . . . . 0.0 109.994 178.975 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . 0.452 ' CZ ' ' CG2' ' A' ' 10' ' ' ILE . 8.1 m-30 -72.6 -42.73 64.19 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.676 -0.693 . . . . 0.0 110.455 179.699 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 5.9 mmpt? -66.92 -47.73 70.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.341 179.175 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -59.48 -35.12 73.5 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.85 -0.614 . . . . 0.0 111.551 -179.855 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 35.7 p -70.24 -32.45 70.31 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.904 0.383 . . . . 0.0 110.41 179.691 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -78.2 -44.59 25.31 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.959 -0.564 . . . . 0.0 111.581 -179.86 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 3.9 ptt? -83.61 -16.02 46.8 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 112.185 0.439 . . . . 0.0 112.185 -179.396 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 9.9 m-80 75.16 36.05 0.55 Allowed 'General case' 0 N--CA 1.464 0.241 0 CA-C-O 121.154 0.502 . . . . 0.0 110.033 -178.986 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 2.9 tt -55.36 160.03 2.46 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.533 -0.758 . . . . 0.0 110.622 -179.995 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 52.8 t30 -42.93 133.58 3.62 Favored 'General case' 0 N--CA 1.469 0.479 0 CA-C-O 120.948 0.404 . . . . 0.0 112.062 -179.788 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 13.4 tpp180 -55.08 -24.98 28.17 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.854 -179.375 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 17.2 m-20 -68.45 -35.98 78.36 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.709 0.29 . . . . 0.0 111.047 -179.72 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . 0.419 ' CD2' HD12 ' A' ' 29' ' ' ILE . 2.4 t80 -75.38 -41.78 55.51 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 109.464 -0.569 . . . . 0.0 109.464 179.18 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 57.1 mt -61.66 -44.56 98.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 115.62 -0.718 . . . . 0.0 109.846 178.775 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 5.3 tt0 -72.53 -33.4 66.84 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.21 179.37 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -67.13 -46.15 74.98 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.745 -0.662 . . . . 0.0 110.148 179.474 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . 0.419 HD12 ' CD2' ' A' ' 25' ' ' PHE . 5.8 mt -69.16 -32.41 53.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-O 120.943 0.402 . . . . 0.0 110.143 179.144 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.42 ' HB2' ' CE1' ' A' ' 13' ' ' TYR . 3.3 tt0 -76.81 -32.68 57.78 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.378 179.2 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 4.7 m-20 -69.06 -30.95 69.39 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.862 179.967 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 15.5 tp10 -79.88 -45.23 19.01 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 109.415 -0.587 . . . . 0.0 109.415 179.157 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 71.0 mt -63.99 -35.16 72.58 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-N 115.381 -0.827 . . . . 0.0 109.445 178.565 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 20.6 mttt -66.35 -47.2 74.2 Favored 'General case' 0 N--CA 1.453 -0.311 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.052 179.607 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.02 -25.01 62.48 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.669 179.18 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -80.92 3.09 23.96 Favored 'General case' 0 CA--C 1.532 0.266 0 CA-C-N 116.344 -0.389 . . . . 0.0 112.001 179.896 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 9.0 t 61.6 33.55 18.19 Favored 'General case' 0 CA--C 1.523 -0.074 0 CA-C-O 121.062 0.458 . . . . 0.0 110.333 -179.619 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.401 ' CD2' HD11 ' A' ' 10' ' ' ILE . 8.2 tp -123.15 18.95 9.95 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.722 -0.672 . . . . 0.0 111.084 -179.663 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -60.22 -29.54 68.85 Favored Glycine 0 C--N 1.336 0.528 0 C-N-CA 120.619 -0.8 . . . . 0.0 111.741 179.22 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 3.1 p-80 -57.84 -28.31 63.99 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.872 0.368 . . . . 0.0 110.521 179.193 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 5.9 tp -71.85 -30.21 36.57 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.36 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.334 179.645 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.423 ' HB ' ' CE2' ' A' ' 13' ' ' TYR . 0.7 OUTLIER -90.96 -27.01 5.02 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.207 0 CA-C-N 115.774 -0.648 . . . . 0.0 111.126 -179.774 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 3.9 t 73.09 70.04 0.12 Allowed 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 115.779 -0.646 . . . . 0.0 109.597 -178.411 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 1.7 t -71.34 152.51 8.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 115.606 -0.725 . . . . 0.0 110.83 -179.05 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 2.3 p -82.96 90.56 7.01 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.768 179.852 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 70.7 m . . . . . 0 C--O 1.25 1.098 0 CA-C-O 118.239 -0.886 . . . . 0.0 110.892 -179.99 . . . . . . . . 0 0 . 1 . 023 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.376 0 CA-C-O 120.87 0.366 . . . . 0.0 111.158 . . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -83.65 -32.93 25.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.447 -179.803 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -87.19 70.57 10.14 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.941 0.401 . . . . 0.0 111.471 -179.379 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 3.1 mt -148.95 144.78 27.03 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.889 179.785 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 27.3 m -79.93 162.77 24.77 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.21 179.298 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -58.43 -26.76 63.66 Favored 'General case' 0 N--CA 1.466 0.354 0 CA-C-O 120.939 0.4 . . . . 0.0 109.997 179.396 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -75.54 -36.34 60.49 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.425 179.531 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -81.77 -33.69 30.78 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.599 179.472 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 11.6 tp -75.27 -45.31 40.78 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.736 -0.665 . . . . 0.0 110.62 179.77 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.45 ' CG2' ' CZ ' ' A' ' 14' ' ' PHE . 54.7 mt -70.29 -34.06 56.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.339 179.881 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 16.5 mm-40 -62.64 -28.51 69.96 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.17 178.627 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 3.7 m -73.26 -46.84 47.64 Favored 'General case' 0 C--N 1.331 -0.198 0 N-CA-C 109.669 -0.493 . . . . 0.0 109.669 179.182 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.417 ' CE1' ' HB2' ' A' ' 30' ' ' GLU . 58.1 t80 -63.51 -38.3 90.59 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.815 -0.63 . . . . 0.0 109.831 178.899 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . 0.45 ' CZ ' ' CG2' ' A' ' 10' ' ' ILE . 6.0 m-30 -73.06 -46.34 52.26 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.574 -0.739 . . . . 0.0 110.335 179.736 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 10.3 mmtt -64.91 -43.61 92.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.844 -0.617 . . . . 0.0 110.496 179.369 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -63.04 -37.0 85.45 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.805 -0.634 . . . . 0.0 111.595 -179.626 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 39.5 p -67.78 -32.48 73.09 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.904 0.383 . . . . 0.0 110.359 179.707 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -75.07 -46.59 33.71 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.483 -179.874 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 3.8 ptt? -82.4 -14.73 54.72 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.161 -0.472 . . . . 0.0 112.175 -179.461 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 4.3 m120 74.98 39.06 0.41 Allowed 'General case' 0 N--CA 1.463 0.184 0 CA-C-O 121.165 0.507 . . . . 0.0 110.002 -178.885 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 3.2 tt -56.61 158.0 4.85 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.513 -0.767 . . . . 0.0 110.608 -179.855 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 19.1 t-20 -42.88 133.5 3.61 Favored 'General case' 0 N--CA 1.469 0.523 0 CA-C-O 120.939 0.4 . . . . 0.0 112.038 -179.837 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -54.64 -27.77 42.12 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.949 -0.569 . . . . 0.0 111.798 -179.419 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 1.2 t0 -66.24 -37.97 86.77 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 120.702 0.286 . . . . 0.0 111.005 -179.602 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . 0.409 ' CD2' HD13 ' A' ' 29' ' ' ILE . 2.6 t80 -74.83 -40.6 60.96 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 109.317 -0.623 . . . . 0.0 109.317 179.161 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 58.4 mt -62.58 -46.03 97.37 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-N 115.549 -0.751 . . . . 0.0 109.808 178.82 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 4.6 tt0 -70.83 -32.75 69.9 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.23 179.425 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -67.69 -46.68 71.6 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.059 179.524 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . 0.409 HD13 ' CD2' ' A' ' 25' ' ' PHE . 6.0 mt -69.44 -32.29 52.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.012 179.161 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.417 ' HB2' ' CE1' ' A' ' 13' ' ' TYR . 5.8 tt0 -76.51 -32.82 58.51 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.186 179.189 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 7.9 m-20 -69.06 -29.26 67.35 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.912 179.684 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 3.9 tp10 -80.26 -44.56 19.44 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 109.573 -0.528 . . . . 0.0 109.573 179.152 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 49.0 mt -64.4 -33.56 63.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-N 115.371 -0.832 . . . . 0.0 109.575 178.768 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 10.7 mttt -69.26 -47.54 64.35 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.177 179.475 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -71.0 -24.92 62.47 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.671 179.102 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 55.3 mtt180 -81.02 3.76 21.98 Favored 'General case' 0 CA--C 1.533 0.318 0 CA-C-N 116.25 -0.432 . . . . 0.0 112.044 179.961 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 3.3 t 61.48 33.81 18.36 Favored 'General case' 0 C--O 1.232 0.146 0 CA-C-O 121.11 0.481 . . . . 0.0 110.31 -179.585 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 8.8 tp -121.98 23.98 9.76 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.789 -179.568 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . 0.404 ' HA2' HG12 ' A' ' 42' ' ' ILE . . . -64.61 -22.06 67.59 Favored Glycine 0 C--N 1.335 0.514 0 C-N-CA 120.89 -0.672 . . . . 0.0 112.405 179.585 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 18.3 p-80 -67.45 -30.32 70.02 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.887 0.375 . . . . 0.0 110.228 179.497 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 6.0 tp -66.01 -33.08 61.14 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.363 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.302 179.76 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.404 HG12 ' HA2' ' A' ' 39' ' ' GLY . 47.2 pt -93.61 -30.76 4.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 115.428 -0.805 . . . . 0.0 111.05 179.807 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 5.0 t 73.62 72.59 0.12 Allowed 'General case' 0 N--CA 1.452 -0.34 0 CA-C-N 115.333 -0.849 . . . . 0.0 109.003 -177.887 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 1.5 t -71.17 141.46 16.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 115.58 -0.736 . . . . 0.0 110.702 -178.575 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 1.2 m -98.54 91.04 4.97 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.841 179.962 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 70.5 m . . . . . 0 C--O 1.249 1.054 0 CA-C-O 118.241 -0.885 . . . . 0.0 110.852 179.984 . . . . . . . . 0 0 . 1 . 024 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.5 mtm . . . . . 0 N--CA 1.486 1.361 0 CA-C-O 120.97 0.414 . . . . 0.0 111.097 . . . . . . . . . 0 0 . 1 . 024 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 17.6 mtp180 -83.55 -42.8 16.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.441 -179.701 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 11.8 ttmt -68.77 78.84 0.3 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.408 -179.43 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER 179.9 154.57 0.55 Allowed 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.29 -0.413 . . . . 0.0 111.132 179.747 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -82.9 163.32 21.18 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.297 179.303 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . 0.402 ' HB3' ' CD2' ' A' ' 38' ' ' LEU . 0.9 OUTLIER -57.79 -25.15 60.15 Favored 'General case' 0 N--CA 1.466 0.357 0 CA-C-O 120.831 0.348 . . . . 0.0 110.289 179.513 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -73.75 -36.63 65.15 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 121.008 0.433 . . . . 0.0 110.18 179.468 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -81.71 -33.6 31.06 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.398 179.199 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 18.1 tp -75.06 -47.02 30.94 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.694 -0.685 . . . . 0.0 110.567 179.712 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.453 ' CG2' ' CZ ' ' A' ' 14' ' ' PHE . 60.9 mt -68.55 -35.67 71.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.572 -179.935 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 33.1 mt-10 -62.3 -28.58 69.83 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.182 178.625 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -72.39 -46.43 55.27 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.216 -0.447 . . . . 0.0 109.801 179.391 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.415 ' CE2' ' HB ' ' A' ' 42' ' ' ILE . 76.2 t80 -63.2 -38.67 92.08 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.808 -0.633 . . . . 0.0 109.758 178.86 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . 0.453 ' CZ ' ' CG2' ' A' ' 10' ' ' ILE . 6.8 m-30 -72.21 -47.71 48.51 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.493 -0.776 . . . . 0.0 110.448 179.723 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 27.7 mtmt -64.23 -42.97 96.31 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.403 179.287 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -60.49 -37.03 79.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.893 -0.594 . . . . 0.0 111.613 -179.753 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 82.1 p -69.35 -32.48 71.58 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.956 0.408 . . . . 0.0 110.268 179.508 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -76.31 -46.09 29.34 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.501 -179.956 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 3.7 ptt? -83.58 -13.94 53.22 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.177 -0.465 . . . . 0.0 112.211 -179.405 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 3.1 m120 72.63 39.13 0.72 Allowed 'General case' 0 C--N 1.332 -0.164 0 CA-C-O 121.133 0.492 . . . . 0.0 110.14 -178.945 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.421 HD23 ' CD2' ' A' ' 25' ' ' PHE . 3.1 tt -57.64 157.94 6.59 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.565 -0.743 . . . . 0.0 110.487 -179.919 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 10.4 t-20 -42.44 137.26 2.13 Favored 'General case' 0 N--CA 1.47 0.571 0 N-CA-C 112.197 0.443 . . . . 0.0 112.197 -179.791 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 1.5 ttm180 -57.01 -29.79 63.63 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.641 -179.424 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -64.94 -35.59 81.67 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.815 0.34 . . . . 0.0 110.86 -179.777 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . 0.421 ' CD2' HD23 ' A' ' 21' ' ' LEU . 2.9 t80 -75.25 -43.99 48.41 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 109.301 -0.629 . . . . 0.0 109.301 179.137 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 60.6 mt -60.99 -43.23 95.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 115.545 -0.752 . . . . 0.0 110.088 178.863 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -74.11 -33.49 63.6 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.198 179.454 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -66.83 -46.44 75.13 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.804 -0.634 . . . . 0.0 110.013 179.47 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . 0.415 HD12 ' CE2' ' A' ' 25' ' ' PHE . 14.5 mt -69.24 -32.31 53.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.029 179.201 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -76.55 -32.73 58.37 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.26 179.194 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 52.4 m-20 -69.74 -29.65 67.06 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.912 179.761 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 16.4 tp10 -80.21 -46.15 16.81 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 109.378 -0.601 . . . . 0.0 109.378 179.229 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 67.0 mt -63.98 -33.54 62.84 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-N 115.423 -0.808 . . . . 0.0 109.559 178.587 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 8.5 mttt -68.99 -47.8 64.66 Favored 'General case' 0 N--CA 1.454 -0.247 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.212 179.397 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -70.93 -24.48 62.46 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.555 179.104 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 1.1 mmp_? -80.88 3.18 23.54 Favored 'General case' 0 CA--C 1.534 0.36 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.843 179.815 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 37.9 t 61.1 33.6 19.41 Favored 'General case' 0 C--O 1.23 0.04 0 CA-C-O 121.088 0.47 . . . . 0.0 110.249 -179.431 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.402 ' CD2' ' HB3' ' A' ' 6' ' ' ASP . 10.1 tp -123.19 15.98 9.86 Favored 'General case' 0 CA--C 1.532 0.288 0 CA-C-N 115.706 -0.679 . . . . 0.0 111.381 -179.386 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -58.2 -26.14 58.32 Favored Glycine 0 C--N 1.336 0.554 0 C-N-CA 120.579 -0.819 . . . . 0.0 112.097 179.539 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 3.4 p-80 -61.06 -30.62 70.44 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.921 0.391 . . . . 0.0 110.168 179.219 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 6.0 tp -66.19 -31.96 55.98 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.314 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.214 179.512 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.415 ' HB ' ' CE2' ' A' ' 13' ' ' TYR . 5.8 pt -89.65 -28.87 5.06 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.111 0 CA-C-N 115.58 -0.736 . . . . 0.0 111.127 179.548 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 2.7 t 69.31 73.34 0.25 Allowed 'General case' 0 N--CA 1.452 -0.337 0 CA-C-N 115.527 -0.76 . . . . 0.0 109.266 -177.951 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.413 HG23 ' CG1' ' A' ' 42' ' ' ILE . 1.5 t -72.55 154.07 7.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 115.712 -0.676 . . . . 0.0 110.689 -178.588 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 27.4 t -86.04 90.87 8.23 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.844 179.906 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.3 p . . . . . 0 C--O 1.25 1.105 0 CA-C-O 118.19 -0.909 . . . . 0.0 110.955 179.97 . . . . . . . . 0 0 . 1 . 025 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.488 1.433 0 CA-C-O 120.825 0.345 . . . . 0.0 111.197 . . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -83.42 -29.56 28.01 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.119 -0.492 . . . . 0.0 111.347 -179.749 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 14.8 mtmm -103.93 80.23 1.73 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.475 -0.329 . . . . 0.0 111.389 -179.531 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 17.7 mt -149.95 152.7 35.4 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.881 179.734 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 9.1 p -89.97 161.74 15.74 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.136 179.298 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -58.09 -26.48 62.63 Favored 'General case' 0 N--CA 1.467 0.384 0 C-N-CA 120.685 -0.406 . . . . 0.0 110.097 179.451 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -75.98 -35.59 59.56 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.318 179.447 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -81.81 -35.54 29.38 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.743 179.428 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 51.7 tp -75.17 -43.81 50.21 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.875 179.902 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.457 ' CG2' ' CZ ' ' A' ' 14' ' ' PHE . 63.4 mt -69.38 -40.23 79.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-N 116.433 -0.349 . . . . 0.0 110.762 -179.805 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -60.8 -28.24 68.62 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 109.869 -0.419 . . . . 0.0 109.869 178.387 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 69.6 m -70.59 -44.21 67.8 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-O 121.069 0.461 . . . . 0.0 109.972 179.407 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 67.5 t80 -67.5 -39.64 85.19 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.017 179.232 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . 0.457 ' CZ ' ' CG2' ' A' ' 10' ' ' ILE . 7.7 m-30 -72.5 -39.69 67.43 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.408 -0.814 . . . . 0.0 110.73 179.963 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.424 ' HD2' ' N ' ' A' ' 15' ' ' LYS . 0.0 OUTLIER -65.43 -53.31 44.74 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.155 -0.475 . . . . 0.0 109.915 179.591 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -57.3 -34.24 68.51 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.625 -0.716 . . . . 0.0 111.817 -179.702 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 6.1 p -69.29 -32.62 71.89 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.887 0.375 . . . . 0.0 110.306 179.645 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 6.4 mt-10 -78.57 -46.56 19.12 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.292 179.848 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 3.0 ptt? -82.8 -9.15 59.47 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 112.379 0.511 . . . . 0.0 112.379 -179.64 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 36.0 m-20 66.5 40.85 3.36 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.065 0.459 . . . . 0.0 110.651 -178.999 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 2.9 tt -59.36 159.7 7.62 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.2 179.629 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 6.1 t-20 -40.93 132.58 2.3 Favored 'General case' 0 N--CA 1.472 0.635 0 N-CA-C 112.298 0.481 . . . . 0.0 112.298 -179.743 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 5.6 tmm_? -53.99 -25.42 20.85 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.985 -0.552 . . . . 0.0 112.023 -179.344 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -69.47 -35.42 75.59 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.765 0.317 . . . . 0.0 110.913 -179.753 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . 0.419 ' CE2' HD11 ' A' ' 29' ' ' ILE . 4.2 t80 -74.0 -45.65 48.55 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 109.363 -0.606 . . . . 0.0 109.363 179.233 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 62.5 mt -59.07 -43.81 90.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 115.551 -0.75 . . . . 0.0 110.241 178.939 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 4.1 tt0 -72.85 -34.82 67.01 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.063 0.459 . . . . 0.0 110.295 179.615 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -65.13 -47.76 75.98 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.009 179.339 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . 0.419 HD11 ' CE2' ' A' ' 25' ' ' PHE . 10.5 mt -67.11 -32.77 59.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.207 179.337 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -76.33 -31.92 58.41 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.294 179.445 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 3.9 m-20 -69.58 -28.96 66.42 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.037 179.815 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 16.0 tp10 -80.4 -44.63 19.03 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.212 0.529 . . . . 0.0 109.644 179.335 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 42.6 mt -64.51 -32.92 59.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-N 115.354 -0.839 . . . . 0.0 109.882 178.925 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 4.4 mtmt -68.91 -46.19 68.94 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.045 179.272 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 17.8 mtt180 -69.59 -25.18 63.84 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.57 179.066 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 9.7 mtt180 -82.93 6.47 18.49 Favored 'General case' 0 CA--C 1.534 0.331 0 CA-C-N 116.209 -0.45 . . . . 0.0 112.209 -179.906 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 5.3 t 60.14 32.89 21.09 Favored 'General case' 0 C--O 1.232 0.141 0 CA-C-O 120.968 0.414 . . . . 0.0 110.456 -179.74 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.401 ' CD2' HD12 ' A' ' 10' ' ' ILE . 8.3 tp -121.11 28.04 8.08 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.618 -179.615 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -72.06 -6.29 64.02 Favored Glycine 0 C--N 1.335 0.49 0 C-N-CA 121.043 -0.599 . . . . 0.0 112.877 179.52 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 9.4 p-80 -85.04 -32.31 22.97 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 117.304 0.552 . . . . 0.0 109.609 178.899 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 6.1 tp -60.35 -33.69 54.87 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.279 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.046 179.106 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 13.7 pt -80.68 159.52 4.17 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.18 0 CA-C-N 115.051 -0.977 . . . . 0.0 110.763 179.674 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 37.3 t -80.02 61.37 3.87 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.152 0.501 . . . . 0.0 110.077 179.362 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 25.2 t -122.82 133.39 69.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 115.819 -0.628 . . . . 0.0 111.281 -179.215 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 38.0 t -99.14 89.46 4.25 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.891 0.377 . . . . 0.0 110.461 179.483 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 26.8 p . . . . . 0 C--O 1.249 1.055 0 CA-C-O 118.303 -0.856 . . . . 0.0 110.887 -179.981 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 . . . . . 0 N--CA 1.454 -0.249 0 CA-C-O 120.702 0.287 . . . . 0.0 110.472 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.406 ' HA ' ' HB2' ' A' ' 11' ' ' GLU . 4.7 mp -81.0 -40.17 24.71 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.543 179.215 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 23.7 tp -62.78 -42.75 99.84 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.224 0.535 . . . . 0.0 109.68 179.005 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.866 HD11 HD21 ' A' ' 38' ' ' LEU . 32.0 mt -74.51 -34.16 34.82 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.554 0 CA-C-N 115.605 -0.725 . . . . 0.0 109.797 178.973 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 11' ' ' GLU . . . . . 0.406 ' HB2' ' HA ' ' A' ' 8' ' ' LEU . 8.6 mm-40 -62.5 -28.8 70.09 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.865 -0.607 . . . . 0.0 109.831 178.327 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 1.3 t -73.16 -46.53 50.35 Favored 'General case' 0 N--CA 1.455 -0.219 0 N-CA-C 109.435 -0.58 . . . . 0.0 109.435 179.003 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.876 ' O ' HG23 ' A' ' 17' ' ' THR . 74.6 t80 -63.65 -40.11 96.04 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.778 -0.646 . . . . 0.0 109.929 178.778 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 14' ' ' PHE . . . . . 0.459 ' CZ ' ' CG2' ' A' ' 10' ' ' ILE . 5.6 m-30 -70.58 -47.6 59.4 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.543 -0.753 . . . . 0.0 110.438 179.783 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 36.0 mtmt -61.37 -44.58 96.93 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.586 179.499 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.579 ' HB1' ' HB3' ' A' ' 21' ' ' LEU . . . -60.25 -37.27 79.86 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.85 -0.614 . . . . 0.0 111.771 -179.483 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.876 HG23 ' O ' ' A' ' 13' ' ' TYR . 68.2 p -68.24 -32.48 72.69 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.886 0.374 . . . . 0.0 110.546 179.865 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -75.5 -44.26 44.73 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.45 -179.908 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 19' ' ' MET . . . . . 0.759 ' CE ' HD12 ' A' ' 21' ' ' LEU . 3.5 ptt? -84.39 -14.68 48.74 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 112.177 0.436 . . . . 0.0 112.177 -179.491 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 10.3 m-80 75.95 38.15 0.36 Allowed 'General case' 0 N--CA 1.465 0.3 0 CA-C-O 121.098 0.475 . . . . 0.0 110.142 -179.019 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.826 HD23 ' N ' ' A' ' 22' ' ' ASN . 3.3 tt -57.6 156.13 8.76 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.615 -0.72 . . . . 0.0 110.516 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 22' ' ' ASN . . . . . 0.826 ' N ' HD23 ' A' ' 21' ' ' LEU . 9.8 t-20 -42.8 138.69 1.88 Allowed 'General case' 0 N--CA 1.47 0.529 0 N-CA-C 112.221 0.452 . . . . 0.0 112.221 -179.619 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 7.5 ttm180 -58.15 -28.92 65.15 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.88 -0.6 . . . . 0.0 111.609 -179.502 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -64.49 -38.85 92.45 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.567 -0.288 . . . . 0.0 111.055 -179.709 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 25' ' ' PHE . . . . . 0.803 ' CD2' HD11 ' A' ' 29' ' ' ILE . 3.7 t80 -73.83 -42.5 60.79 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 109.395 -0.595 . . . . 0.0 109.395 179.088 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 69.4 mt -60.41 -43.41 93.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 115.427 -0.806 . . . . 0.0 110.01 178.823 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -75.02 -34.7 61.93 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.258 179.536 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.581 HD23 ' N ' ' A' ' 29' ' ' ILE . 0.9 OUTLIER -65.33 -47.59 75.98 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.827 -0.624 . . . . 0.0 109.997 179.483 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.803 HD11 ' CD2' ' A' ' 25' ' ' PHE . 9.8 mt -67.85 -31.98 54.5 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.085 179.376 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.418 ' HB2' ' CE1' ' A' ' 13' ' ' TYR . 1.4 tm-20 -76.71 -33.23 58.2 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.311 179.196 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 3.3 m-20 -67.59 -30.05 69.56 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.976 -0.556 . . . . 0.0 111.056 179.825 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 2.5 tp10 -80.26 -45.32 18.14 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 109.459 -0.571 . . . . 0.0 109.459 179.167 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.713 HG23 ' HB3' ' A' ' 38' ' ' LEU . 51.1 mt -64.58 -31.93 55.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-N 115.319 -0.855 . . . . 0.0 109.692 178.565 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 7.1 mmtt -70.34 -47.95 58.66 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.254 179.464 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 3.1 ttm-85 -69.54 -23.09 63.54 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.608 178.975 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 16.5 mtp180 -83.45 6.37 20.47 Favored 'General case' 0 CA--C 1.535 0.366 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.979 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 5.0 t 61.02 34.06 19.45 Favored 'General case' 0 C--O 1.229 0.026 0 CA-C-O 121.076 0.465 . . . . 0.0 110.478 -179.721 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.866 HD21 HD11 ' A' ' 10' ' ' ILE . 8.1 tp -123.02 26.04 8.28 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.667 -0.697 . . . . 0.0 110.755 -179.579 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -71.03 -7.67 62.98 Favored Glycine 0 C--N 1.336 0.539 0 C-N-CA 120.94 -0.648 . . . . 0.0 112.835 179.687 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 2.8 p-80 -82.79 -31.47 28.21 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 117.256 0.528 . . . . 0.0 109.641 178.784 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.747 HG12 HD13 ' A' ' 10' ' ' ILE . 6.5 tp . . . . . 0 N--CA 1.453 -0.279 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.039 179.05 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.454 -0.228 0 CA-C-O 120.935 0.398 . . . . 0.0 110.021 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -80.72 -33.61 35.11 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.434 179.141 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.514 HD21 HG13 ' A' ' 33' ' ' ILE . 18.2 tp -74.04 -47.07 39.3 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.532 179.658 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.78 HD11 HD21 ' A' ' 38' ' ' LEU . 51.7 mt -68.38 -35.07 69.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.521 179.901 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 15.5 mt-10 -62.04 -28.41 69.57 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.118 178.658 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' SER . . . . . 0.435 ' HB3' HD13 ' A' ' 29' ' ' ILE . 1.1 t -73.19 -45.28 57.25 Favored 'General case' 0 CA--C 1.52 -0.183 0 N-CA-C 109.708 -0.478 . . . . 0.0 109.708 179.285 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.681 ' O ' HG23 ' A' ' 17' ' ' THR . 71.4 t80 -64.67 -38.0 89.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.842 -0.617 . . . . 0.0 109.807 178.973 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 14' ' ' PHE . . . . . 0.457 ' CZ ' ' CG2' ' A' ' 10' ' ' ILE . 13.2 m-30 -73.54 -45.57 52.78 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.519 -0.764 . . . . 0.0 110.516 179.693 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 6.6 mmtt -65.29 -44.98 86.24 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.583 179.48 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.586 ' HB1' ' HB3' ' A' ' 21' ' ' LEU . . . -64.32 -35.98 82.62 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.667 -179.653 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.681 HG23 ' O ' ' A' ' 13' ' ' TYR . 20.4 p -67.34 -32.59 73.64 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.991 0.424 . . . . 0.0 110.51 179.72 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -75.82 -47.12 26.99 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.486 -179.742 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 19' ' ' MET . . . . . 0.778 ' CE ' HD12 ' A' ' 21' ' ' LEU . 3.6 ptt? -81.4 -14.04 57.61 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.195 -0.457 . . . . 0.0 112.175 -179.555 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 22.2 m-20 74.67 38.15 0.5 Allowed 'General case' 0 N--CA 1.463 0.191 0 CA-C-O 121.14 0.495 . . . . 0.0 110.012 -179.076 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.824 HD23 ' N ' ' A' ' 22' ' ' ASN . 3.2 tt -55.85 157.91 4.04 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.591 -0.731 . . . . 0.0 110.523 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 22' ' ' ASN . . . . . 0.824 ' N ' HD23 ' A' ' 21' ' ' LEU . 47.7 t30 -41.66 133.81 2.6 Favored 'General case' 0 N--CA 1.471 0.622 0 N-CA-C 112.141 0.423 . . . . 0.0 112.141 -179.774 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -54.56 -29.03 49.88 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.86 -179.326 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -66.15 -36.16 82.38 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.765 0.317 . . . . 0.0 110.917 -179.796 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' PHE . . . . . 0.769 ' HB3' HD22 ' A' ' 21' ' ' LEU . 2.6 t80 -74.63 -42.56 58.36 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 109.206 -0.665 . . . . 0.0 109.206 179.065 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 56.0 mt -61.93 -47.52 92.84 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 115.454 -0.794 . . . . 0.0 109.993 178.825 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -69.81 -32.21 70.53 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.359 179.651 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.59 HD23 ' N ' ' A' ' 29' ' ' ILE . 0.8 OUTLIER -67.84 -47.2 69.64 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.007 179.5 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.59 ' N ' HD23 ' A' ' 28' ' ' LEU . 12.5 mt -68.95 -32.45 54.59 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.02 179.161 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 6.9 tt0 -76.61 -32.72 58.24 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.193 179.266 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 5.1 m-20 -69.4 -28.89 66.55 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.997 179.899 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 8.6 tp10 -80.6 -45.1 17.87 Favored 'General case' 0 C--N 1.33 -0.273 0 N-CA-C 109.574 -0.528 . . . . 0.0 109.574 179.21 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.721 HG23 ' HB3' ' A' ' 38' ' ' LEU . 45.5 mt -64.55 -32.21 56.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-N 115.337 -0.847 . . . . 0.0 109.759 178.721 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 36.6 mttt -69.62 -47.1 64.62 Favored 'General case' 0 N--CA 1.456 -0.172 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.075 179.385 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 3.3 tpp180 -70.85 -24.29 62.49 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.954 -0.567 . . . . 0.0 110.768 179.166 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 5.3 mtp180 -81.96 4.76 21.44 Favored 'General case' 0 CA--C 1.534 0.349 0 CA-C-N 116.287 -0.415 . . . . 0.0 112.038 179.899 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 2.8 t 61.32 34.48 18.48 Favored 'General case' 0 C--O 1.23 0.065 0 CA-C-O 121.14 0.495 . . . . 0.0 110.328 -179.663 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.78 HD21 HD11 ' A' ' 10' ' ' ILE . 8.6 tp -123.08 27.06 7.79 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.538 -0.756 . . . . 0.0 110.547 -179.549 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -70.83 -7.33 61.63 Favored Glycine 0 C--N 1.336 0.533 0 C-N-CA 121.0 -0.619 . . . . 0.0 113.067 179.803 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 21.4 p80 -83.88 -32.24 25.28 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 117.348 0.574 . . . . 0.0 109.497 178.8 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.746 HG22 ' O ' ' A' ' 38' ' ' LEU . 6.2 tp . . . . . 0 CA--C 1.533 0.325 0 CA-C-N 115.804 -0.635 . . . . 0.0 109.829 178.798 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.321 0 N-CA-C 110.257 -0.275 . . . . 0.0 110.257 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 5.4 mp -80.39 -37.5 32.15 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.233 179.078 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 14.0 tp -63.43 -44.52 94.33 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.958 -0.565 . . . . 0.0 109.574 178.96 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.856 HD11 ' CD2' ' A' ' 38' ' ' LEU . 23.5 mt -72.49 -34.88 49.69 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.525 0 CA-C-N 115.621 -0.718 . . . . 0.0 109.858 179.162 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -61.38 -28.36 69.18 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.084 -0.507 . . . . 0.0 109.822 178.206 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 5.9 m -73.21 -47.07 46.61 Favored 'General case' 0 N--CA 1.455 -0.185 0 N-CA-C 109.463 -0.569 . . . . 0.0 109.463 179.122 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.636 ' O ' HG23 ' A' ' 17' ' ' THR . 75.3 t80 -62.87 -38.73 92.04 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.792 -0.64 . . . . 0.0 109.948 178.847 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 14' ' ' PHE . . . . . 0.456 ' CZ ' ' CG2' ' A' ' 10' ' ' ILE . 6.2 m-30 -72.39 -46.18 56.38 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.596 -0.729 . . . . 0.0 110.282 179.702 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.59 -42.47 95.56 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.881 -0.599 . . . . 0.0 110.589 179.305 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.593 ' HB1' ' HB3' ' A' ' 21' ' ' LEU . . . -65.76 -38.28 88.64 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.013 -0.539 . . . . 0.0 111.548 -179.662 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.636 HG23 ' O ' ' A' ' 13' ' ' TYR . 20.8 p -65.0 -32.63 74.45 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.876 0.369 . . . . 0.0 110.501 179.81 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 5.6 mt-10 -75.04 -48.06 25.87 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.631 -179.734 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' MET . . . . . 0.693 ' CE ' HD12 ' A' ' 21' ' ' LEU . 4.5 ptp -80.43 -14.43 58.3 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 112.38 0.511 . . . . 0.0 112.38 -179.266 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 4.9 m120 75.69 38.26 0.38 Allowed 'General case' 0 N--CA 1.465 0.28 0 CA-C-O 121.197 0.523 . . . . 0.0 109.978 -178.913 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.815 HD22 ' HB3' ' A' ' 25' ' ' PHE . 2.8 tt -55.05 158.77 2.71 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 115.479 -0.782 . . . . 0.0 110.66 -179.922 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 22' ' ' ASN . . . . . 0.806 ' N ' HD23 ' A' ' 21' ' ' LEU . 9.7 t-20 -41.79 133.67 2.74 Favored 'General case' 0 N--CA 1.47 0.572 0 N-CA-C 112.208 0.447 . . . . 0.0 112.208 -179.739 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 2.5 tpt180 -54.75 -31.36 58.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.916 -179.293 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -67.17 -33.52 75.57 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.747 0.308 . . . . 0.0 111.07 -179.639 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' PHE . . . . . 0.874 ' CD2' HD11 ' A' ' 29' ' ' ILE . 7.5 t80 -75.99 -43.67 43.36 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 109.313 -0.625 . . . . 0.0 109.313 179.148 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 61.6 mt -61.09 -44.98 99.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 115.453 -0.794 . . . . 0.0 110.104 178.875 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 2.7 tp10 -72.17 -32.98 67.35 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.303 179.497 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.611 HD23 ' N ' ' A' ' 29' ' ' ILE . 0.6 OUTLIER -66.37 -47.77 72.31 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.053 179.44 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.874 HD11 ' CD2' ' A' ' 25' ' ' PHE . 9.9 mt -67.76 -32.21 55.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.097 179.179 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.409 ' HB2' ' CE1' ' A' ' 13' ' ' TYR . 3.5 tt0 -76.4 -33.55 58.85 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.253 179.341 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 48.0 m-20 -67.92 -29.24 68.27 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.891 -0.595 . . . . 0.0 111.105 179.818 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 1.7 tp10 -80.58 -44.82 18.35 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 109.561 -0.533 . . . . 0.0 109.561 179.29 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.713 HG23 ' HB3' ' A' ' 38' ' ' LEU . 46.4 mt -65.16 -32.0 56.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-N 115.366 -0.834 . . . . 0.0 109.823 178.76 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 22.6 mttt -71.25 -46.24 61.45 Favored 'General case' 0 N--CA 1.455 -0.186 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.065 179.307 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 13.1 mtt85 -70.83 -23.84 62.42 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.925 -0.579 . . . . 0.0 110.47 178.877 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 43.1 mtt180 -83.48 6.29 20.85 Favored 'General case' 0 CA--C 1.534 0.346 0 CA-C-N 116.363 -0.38 . . . . 0.0 112.005 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 6.3 t 60.66 34.53 20.06 Favored 'General case' 0 C--O 1.231 0.121 0 CA-C-O 121.08 0.467 . . . . 0.0 110.483 -179.734 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.856 ' CD2' HD11 ' A' ' 10' ' ' ILE . 8.3 tp -123.04 27.19 7.75 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.647 -0.706 . . . . 0.0 110.737 -179.515 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -70.88 -7.66 62.45 Favored Glycine 0 C--N 1.334 0.462 0 C-N-CA 121.073 -0.584 . . . . 0.0 112.988 179.695 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 22.5 p-80 -83.18 -31.48 27.1 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 117.371 0.585 . . . . 0.0 109.518 178.779 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.745 HG22 ' O ' ' A' ' 38' ' ' LEU . 6.3 tp . . . . . 0 CA--C 1.532 0.268 0 CA-C-N 115.791 -0.64 . . . . 0.0 109.981 179.037 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 . . . . . 0 N--CA 1.455 -0.221 0 CA-C-O 121.044 0.45 . . . . 0.0 110.063 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -79.77 -33.86 40.27 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.543 -0.753 . . . . 0.0 110.423 179.25 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.461 HD21 HG13 ' A' ' 33' ' ' ILE . 15.8 tp -74.38 -47.2 35.54 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.702 -0.681 . . . . 0.0 110.573 179.737 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.782 HD13 HG12 ' A' ' 41' ' ' ILE . 33.5 mt -68.59 -33.88 62.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.499 179.798 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 12.1 mm-40 -62.25 -28.77 69.94 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.152 178.632 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -73.67 -45.65 51.21 Favored 'General case' 0 C--N 1.331 -0.201 0 N-CA-C 109.66 -0.496 . . . . 0.0 109.66 179.289 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.761 ' O ' HG23 ' A' ' 17' ' ' THR . 54.0 t80 -63.93 -36.53 84.26 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.809 -0.632 . . . . 0.0 109.711 178.962 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 14' ' ' PHE . . . . . 0.459 ' CZ ' ' CG2' ' A' ' 10' ' ' ILE . 5.7 m-30 -74.57 -48.05 29.03 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.448 -0.796 . . . . 0.0 110.308 179.807 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 43.2 mtmt -64.06 -44.03 93.68 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.46 179.448 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.544 ' HB1' ' HB3' ' A' ' 21' ' ' LEU . . . -62.31 -37.73 86.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.875 -0.602 . . . . 0.0 111.601 -179.625 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.761 HG23 ' O ' ' A' ' 13' ' ' TYR . 35.1 p -66.6 -32.4 73.7 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.935 0.398 . . . . 0.0 110.298 179.587 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 10.3 mt-10 -74.75 -49.02 22.49 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 115.957 -0.565 . . . . 0.0 111.564 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' MET . . . . . 0.765 ' CE ' HD12 ' A' ' 21' ' ' LEU . 3.5 ptt? -80.25 -14.71 58.19 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 112.368 0.507 . . . . 0.0 112.368 -179.431 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 11.7 m120 75.08 39.73 0.38 Allowed 'General case' 0 N--CA 1.464 0.268 0 CA-C-O 121.193 0.521 . . . . 0.0 110.013 -178.885 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.81 HD23 ' N ' ' A' ' 22' ' ' ASN . 3.0 tt -56.46 157.97 4.71 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.626 -0.715 . . . . 0.0 110.532 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 22' ' ' ASN . . . . . 0.81 ' N ' HD23 ' A' ' 21' ' ' LEU . 54.0 t-20 -41.84 133.4 2.84 Favored 'General case' 0 N--CA 1.47 0.574 0 N-CA-C 112.16 0.43 . . . . 0.0 112.16 -179.747 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -54.95 -26.39 35.99 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.945 -0.57 . . . . 0.0 111.892 -179.378 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -69.7 -36.58 76.06 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.668 0.271 . . . . 0.0 111.022 -179.738 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 25' ' ' PHE . . . . . 0.803 ' HB3' HD22 ' A' ' 21' ' ' LEU . 2.5 t80 -74.66 -41.13 60.87 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 109.372 -0.603 . . . . 0.0 109.372 179.107 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 59.0 mt -62.02 -45.95 97.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 115.517 -0.765 . . . . 0.0 109.893 178.745 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -71.16 -33.6 70.17 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.163 179.458 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.574 HD23 ' N ' ' A' ' 29' ' ' ILE . 0.9 OUTLIER -66.57 -47.43 72.81 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.827 -0.624 . . . . 0.0 109.946 179.316 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.695 HD11 ' CD2' ' A' ' 25' ' ' PHE . 6.6 mt -67.96 -32.17 55.14 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.071 179.254 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.409 ' HB2' ' CE1' ' A' ' 13' ' ' TYR . 4.7 tt0 -76.31 -32.74 58.9 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.149 179.157 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 6.7 m120 -68.91 -28.13 66.4 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.801 -0.636 . . . . 0.0 111.1 179.743 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 2.7 tp10 -80.36 -45.69 17.32 Favored 'General case' 0 CA--C 1.519 -0.247 0 N-CA-C 109.56 -0.534 . . . . 0.0 109.56 179.269 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.671 HG23 ' HB3' ' A' ' 38' ' ' LEU . 65.3 mt -64.56 -31.8 55.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 CA-C-N 115.435 -0.802 . . . . 0.0 109.906 178.784 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 21.2 mttt -70.74 -46.67 62.57 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.2 -0.454 . . . . 0.0 109.864 179.299 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 21.4 mtm180 -70.93 -24.35 62.43 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.63 179.0 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 17.7 mtt-85 -81.92 4.43 22.57 Favored 'General case' 0 CA--C 1.534 0.344 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.873 179.904 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 3.5 t 61.31 33.97 18.73 Favored 'General case' 0 CA--C 1.523 -0.062 0 CA-C-O 121.119 0.485 . . . . 0.0 110.311 -179.572 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.775 ' CD2' HD11 ' A' ' 10' ' ' ILE . 9.8 tp -123.15 28.18 7.26 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.599 -0.728 . . . . 0.0 110.642 -179.361 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -69.65 -8.74 60.78 Favored Glycine 0 C--N 1.334 0.468 0 C-N-CA 120.989 -0.624 . . . . 0.0 113.044 179.765 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 2.9 p-80 -81.95 -31.71 31.13 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 117.379 0.589 . . . . 0.0 109.7 178.998 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.782 HG12 HD13 ' A' ' 10' ' ' ILE . 6.9 tp . . . . . 0 CA--C 1.533 0.292 0 CA-C-N 115.749 -0.659 . . . . 0.0 110.116 178.867 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.455 -0.208 0 CA-C-O 120.876 0.37 . . . . 0.0 110.244 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -81.99 -32.85 30.43 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.56 179.38 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.525 HD21 HG13 ' A' ' 33' ' ' ILE . 15.4 tp -75.2 -44.02 48.72 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.744 179.751 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.806 HD11 HD21 ' A' ' 38' ' ' LEU . 62.2 mt -69.75 -37.79 74.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.594 179.85 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -61.28 -27.82 68.74 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.044 178.628 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 69.0 m -71.92 -47.02 55.51 Favored 'General case' 0 CA--C 1.521 -0.156 0 N-CA-C 109.743 -0.465 . . . . 0.0 109.743 179.121 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.651 ' O ' HG23 ' A' ' 17' ' ' THR . 65.2 t80 -64.01 -38.43 91.05 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.049 179.045 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 14' ' ' PHE . . . . . 0.466 ' CZ ' ' CG2' ' A' ' 10' ' ' ILE . 12.3 m-30 -72.87 -43.21 62.82 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.481 -0.781 . . . . 0.0 110.75 179.816 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 28.4 mtmt -65.21 -47.92 75.2 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.625 179.42 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.583 ' HB1' ' HB3' ' A' ' 21' ' ' LEU . . . -63.8 -33.76 76.4 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.95 -0.568 . . . . 0.0 111.784 -179.702 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.651 HG23 ' O ' ' A' ' 13' ' ' TYR . 14.9 p -68.06 -32.59 73.04 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.803 0.335 . . . . 0.0 110.465 179.807 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -76.84 -48.01 19.7 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.482 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 19' ' ' MET . . . . . 0.829 ' CE ' HD12 ' A' ' 21' ' ' LEU . 3.6 ptt? -80.08 -14.58 58.41 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.218 -0.446 . . . . 0.0 112.084 -179.59 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 12.5 m120 74.02 37.16 0.65 Allowed 'General case' 0 N--CA 1.463 0.201 0 CA-C-O 121.161 0.505 . . . . 0.0 110.141 -178.948 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.829 HD12 ' CE ' ' A' ' 19' ' ' MET . 2.8 tt -54.37 160.36 1.71 Allowed 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 115.588 -0.733 . . . . 0.0 110.541 179.88 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 22' ' ' ASN . . . . . 0.801 ' N ' HD23 ' A' ' 21' ' ' LEU . 10.4 t-20 -41.71 133.19 2.79 Favored 'General case' 0 N--CA 1.472 0.628 0 N-CA-C 112.079 0.399 . . . . 0.0 112.079 -179.674 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 6.1 tpp85 -54.5 -28.81 47.71 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.778 -179.36 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -66.55 -35.45 80.26 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 120.733 0.301 . . . . 0.0 110.998 -179.721 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 25' ' ' PHE . . . . . 0.674 ' HB3' HD22 ' A' ' 21' ' ' LEU . 2.4 t80 -74.64 -43.59 54.66 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 109.263 -0.643 . . . . 0.0 109.263 179.092 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 58.4 mt -61.99 -45.77 97.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 115.531 -0.758 . . . . 0.0 110.056 178.882 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -71.13 -32.8 69.43 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.426 179.623 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.591 HD23 ' N ' ' A' ' 29' ' ' ILE . 0.7 OUTLIER -67.45 -47.27 70.64 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.07 179.569 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.591 ' N ' HD23 ' A' ' 28' ' ' LEU . 10.4 mt -69.04 -32.35 53.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.107 179.197 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.407 ' HB2' ' CE1' ' A' ' 13' ' ' TYR . 5.8 tt0 -76.56 -32.87 58.45 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.343 179.171 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 49.8 m-20 -68.56 -29.56 68.13 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.815 -0.629 . . . . 0.0 110.982 179.904 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 8.9 tp10 -80.22 -45.8 17.39 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 109.542 -0.54 . . . . 0.0 109.542 179.139 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.741 HG23 ' HB3' ' A' ' 38' ' ' LEU . 47.1 mt -63.31 -32.18 55.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-N 115.358 -0.837 . . . . 0.0 109.76 178.793 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 22.0 mttt -69.64 -47.99 61.46 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.196 179.545 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 1.3 tmt_? -70.74 -24.26 62.59 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.811 179.143 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 30.5 mtt180 -81.39 3.92 22.71 Favored 'General case' 0 CA--C 1.534 0.342 0 N-CA-C 112.093 0.405 . . . . 0.0 112.093 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 3.7 t 62.23 34.71 15.87 Favored 'General case' 0 C--O 1.232 0.133 0 CA-C-O 121.063 0.458 . . . . 0.0 110.371 -179.757 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.806 HD21 HD11 ' A' ' 10' ' ' ILE . 7.8 tp -123.02 27.48 7.63 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.634 -0.712 . . . . 0.0 110.449 -179.707 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -71.22 -7.24 62.82 Favored Glycine 0 C--N 1.337 0.598 0 C-N-CA 121.017 -0.611 . . . . 0.0 113.015 179.891 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 8.9 p80 -84.53 -32.08 24.08 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 117.315 0.558 . . . . 0.0 109.581 178.932 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.724 HG22 ' O ' ' A' ' 38' ' ' LEU . 5.9 tp . . . . . 0 CA--C 1.532 0.281 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.027 179.084 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 . . . . . 0 N--CA 1.456 -0.167 0 CA-C-O 120.898 0.38 . . . . 0.0 110.218 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -81.05 -35.21 32.09 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.665 179.363 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.524 HD21 HG13 ' A' ' 33' ' ' ILE . 14.9 tp -74.36 -44.59 51.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.777 179.828 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.825 HD11 HD21 ' A' ' 38' ' ' LEU . 51.6 mt -69.87 -35.46 64.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.551 179.87 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -62.1 -28.42 69.61 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.182 178.735 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -73.65 -45.82 50.38 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-O 121.016 0.436 . . . . 0.0 109.835 179.255 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.66 ' O ' HG23 ' A' ' 17' ' ' THR . 63.4 t80 -64.16 -38.19 90.18 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.871 -0.604 . . . . 0.0 109.776 178.786 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 14' ' ' PHE . . . . . 0.451 ' CZ ' ' CG2' ' A' ' 10' ' ' ILE . 7.1 m-30 -73.2 -46.38 50.82 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.471 -0.786 . . . . 0.0 110.462 179.68 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 7.5 mmpt? -65.48 -45.64 82.87 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.817 -0.628 . . . . 0.0 110.499 179.361 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.483 ' HB1' ' HB3' ' A' ' 21' ' ' LEU . . . -63.07 -35.04 78.93 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.83 -0.623 . . . . 0.0 111.627 -179.579 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.66 HG23 ' O ' ' A' ' 13' ' ' TYR . 18.5 p -68.94 -32.59 72.3 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.958 0.409 . . . . 0.0 110.454 179.73 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -75.76 -46.17 32.31 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.456 -179.879 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 19' ' ' MET . . . . . 0.786 ' CE ' HD12 ' A' ' 21' ' ' LEU . 3.7 ptt? -82.54 -15.29 52.88 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 112.162 0.43 . . . . 0.0 112.162 -179.49 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 18.4 m-80 74.26 39.76 0.47 Allowed 'General case' 0 N--CA 1.463 0.196 0 CA-C-O 121.254 0.549 . . . . 0.0 109.934 -178.968 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.802 HD23 ' N ' ' A' ' 22' ' ' ASN . 2.7 tt -55.77 159.45 3.07 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 115.45 -0.795 . . . . 0.0 110.547 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 22' ' ' ASN . . . . . 0.802 ' N ' HD23 ' A' ' 21' ' ' LEU . 61.6 t30 -41.34 131.4 2.83 Favored 'General case' 0 N--CA 1.47 0.557 0 N-CA-C 112.158 0.429 . . . . 0.0 112.158 -179.859 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.43 -32.57 27.1 Favored 'General case' 0 N--CA 1.464 0.265 0 CA-C-N 115.909 -0.587 . . . . 0.0 112.099 -179.267 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 1.9 t0 -65.14 -35.78 82.18 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.584 -0.28 . . . . 0.0 111.304 -179.522 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' PHE . . . . . 0.725 ' HB3' HD22 ' A' ' 21' ' ' LEU . 2.5 t80 -74.68 -43.91 52.84 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 179.239 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 56.3 mt -61.31 -46.1 97.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 115.63 -0.714 . . . . 0.0 110.062 178.909 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -70.66 -33.14 70.64 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.077 0.465 . . . . 0.0 110.336 179.66 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.586 HD23 ' N ' ' A' ' 29' ' ' ILE . 0.8 OUTLIER -67.79 -46.67 71.31 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.0 179.439 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.652 HD11 ' CD2' ' A' ' 25' ' ' PHE . 6.1 mt -68.14 -32.95 58.15 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.108 179.178 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.408 ' HG3' ' CZ ' ' A' ' 13' ' ' TYR . 8.4 tt0 -76.49 -32.65 58.47 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.288 179.51 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 6.8 m120 -69.46 -28.88 66.48 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.94 -0.573 . . . . 0.0 111.152 179.883 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -80.5 -45.2 17.9 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.221 0.534 . . . . 0.0 109.608 179.295 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.669 HG23 ' HB3' ' A' ' 38' ' ' LEU . 44.4 mt -63.35 -32.21 55.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-N 115.394 -0.821 . . . . 0.0 109.744 178.722 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 14.9 mtmt -71.49 -49.03 45.14 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.156 179.404 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 1.4 tpt180 -69.37 -24.2 63.84 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.635 179.133 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 39.9 mtt180 -82.73 5.85 20.0 Favored 'General case' 0 CA--C 1.533 0.322 0 N-CA-C 112.18 0.437 . . . . 0.0 112.18 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 24.1 t 60.75 34.74 19.79 Favored 'General case' 0 C--O 1.231 0.125 0 CA-C-O 121.092 0.472 . . . . 0.0 110.458 -179.857 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.825 HD21 HD11 ' A' ' 10' ' ' ILE . 8.0 tp -123.11 25.07 8.65 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.667 -0.697 . . . . 0.0 110.76 -179.606 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -69.07 -9.65 60.52 Favored Glycine 0 C--N 1.335 0.522 0 C-N-CA 120.967 -0.635 . . . . 0.0 112.968 179.83 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 21.5 p80 -81.14 -33.07 33.41 Favored 'General case' 0 N--CA 1.454 -0.272 0 CA-C-N 117.269 0.534 . . . . 0.0 109.689 179.025 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.738 HG22 ' O ' ' A' ' 38' ' ' LEU . 6.1 tp . . . . . 0 CA--C 1.533 0.31 0 CA-C-O 121.418 0.628 . . . . 0.0 109.928 178.981 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.455 -0.218 0 CA-C-O 120.691 0.281 . . . . 0.0 110.255 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -79.69 -38.07 34.36 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.002 179.602 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.485 HD21 HG13 ' A' ' 33' ' ' ILE . 45.5 tp -74.97 -44.5 48.01 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.988 -179.919 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.77 HD11 ' CD2' ' A' ' 38' ' ' LEU . 62.0 mt -69.73 -33.91 58.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.625 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -62.61 -28.6 70.01 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.069 178.65 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 49.4 m -72.6 -46.03 56.18 Favored 'General case' 0 N--CA 1.454 -0.225 0 N-CA-C 109.687 -0.486 . . . . 0.0 109.687 179.342 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.716 ' O ' HG23 ' A' ' 17' ' ' THR . 75.6 t80 -65.09 -39.06 92.63 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.86 -0.609 . . . . 0.0 109.98 178.933 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 14' ' ' PHE . . . . . 0.458 ' CZ ' ' CG2' ' A' ' 10' ' ' ILE . 7.2 m-30 -72.25 -42.66 65.4 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.628 -0.715 . . . . 0.0 110.545 179.721 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.44 -45.38 80.03 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.332 179.241 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -59.69 -36.11 75.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.915 -0.584 . . . . 0.0 111.419 -179.782 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.716 HG23 ' O ' ' A' ' 13' ' ' TYR . 59.4 p -69.77 -32.55 71.11 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.95 0.405 . . . . 0.0 110.285 179.506 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -77.14 -45.18 27.69 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.619 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' MET . . . . . 0.802 ' CE ' HD12 ' A' ' 21' ' ' LEU . 3.5 ptt? -83.79 -15.91 46.68 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 112.184 0.439 . . . . 0.0 112.184 -179.432 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 21.6 m-20 75.53 37.68 0.42 Allowed 'General case' 0 N--CA 1.464 0.271 0 CA-C-O 121.082 0.468 . . . . 0.0 110.144 -179.049 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.82 HD23 ' N ' ' A' ' 22' ' ' ASN . 3.1 tt -57.76 156.97 7.92 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.725 -0.671 . . . . 0.0 110.397 179.928 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 22' ' ' ASN . . . . . 0.82 ' N ' HD23 ' A' ' 21' ' ' LEU . 48.9 t30 -41.31 137.46 1.43 Allowed 'General case' 0 N--CA 1.472 0.637 0 N-CA-C 112.272 0.471 . . . . 0.0 112.272 -179.646 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.1 -31.42 63.25 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.934 -0.575 . . . . 0.0 111.622 -179.409 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -64.74 -32.98 74.91 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.79 0.329 . . . . 0.0 110.848 -179.757 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' PHE . . . . . 0.781 ' CB ' HD22 ' A' ' 21' ' ' LEU . 3.4 t80 -76.02 -45.93 31.97 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 109.249 -0.648 . . . . 0.0 109.249 179.081 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 63.9 mt -59.42 -42.94 89.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 115.513 -0.767 . . . . 0.0 110.178 178.862 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -74.67 -33.15 62.42 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.387 179.602 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.599 HD23 ' N ' ' A' ' 29' ' ' ILE . 0.6 OUTLIER -67.07 -46.69 73.53 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.758 -0.656 . . . . 0.0 110.077 179.489 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.641 HD11 ' CD2' ' A' ' 25' ' ' PHE . 10.5 mt -68.27 -32.13 54.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.151 179.25 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.416 ' HB2' ' CE1' ' A' ' 13' ' ' TYR . 0.8 OUTLIER -76.25 -32.31 58.8 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.174 179.184 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 4.7 m-20 -70.01 -28.67 65.68 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.925 179.731 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -80.28 -46.73 15.69 Favored 'General case' 0 CA--C 1.519 -0.24 0 N-CA-C 109.406 -0.591 . . . . 0.0 109.406 179.181 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.664 HG23 ' HB3' ' A' ' 38' ' ' LEU . 45.0 mt -63.62 -32.67 57.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-N 115.351 -0.84 . . . . 0.0 109.577 178.604 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 5.8 mmtt -69.01 -47.65 64.95 Favored 'General case' 0 N--CA 1.456 -0.143 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.08 179.319 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 1.2 tpm_? -68.56 -22.67 64.47 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.578 178.954 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -84.63 7.66 19.5 Favored 'General case' 0 CA--C 1.533 0.319 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.868 179.726 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 2.6 t 59.29 33.57 22.6 Favored 'General case' 0 N--CA 1.461 0.082 0 CA-C-O 121.061 0.458 . . . . 0.0 110.465 -179.594 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.81 ' O ' HG22 ' A' ' 41' ' ' ILE . 8.5 tp -123.01 21.46 9.79 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.717 -0.674 . . . . 0.0 111.379 -179.413 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -63.63 -25.31 68.76 Favored Glycine 0 C--N 1.334 0.444 0 C-N-CA 120.225 -0.988 . . . . 0.0 111.982 179.481 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -62.54 -24.56 67.58 Favored 'General case' 0 C--N 1.33 -0.244 0 O-C-N 122.451 -0.44 . . . . 0.0 110.598 179.243 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.81 HG22 ' O ' ' A' ' 38' ' ' LEU . 6.2 tp . . . . . 0 CA--C 1.536 0.437 0 CA-C-O 121.107 0.479 . . . . 0.0 110.626 179.828 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 . . . . . 0 N--CA 1.455 -0.207 0 CA-C-O 120.91 0.386 . . . . 0.0 110.232 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -79.27 -35.72 40.93 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.654 179.413 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.482 HD21 HG13 ' A' ' 33' ' ' ILE . 14.7 tp -72.68 -43.9 62.5 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.699 179.911 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.826 HD11 HD21 ' A' ' 38' ' ' LEU . 49.5 mt -71.52 -35.2 55.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.264 179.639 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -62.02 -28.63 69.71 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.209 178.696 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 24.2 m -73.87 -45.67 49.53 Favored 'General case' 0 C--N 1.332 -0.192 0 N-CA-C 109.611 -0.514 . . . . 0.0 109.611 179.253 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.738 ' O ' HG23 ' A' ' 17' ' ' THR . 59.8 t80 -64.48 -38.66 91.78 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.916 -0.584 . . . . 0.0 109.82 178.834 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 14' ' ' PHE . . . . . 0.452 ' CZ ' ' CG2' ' A' ' 10' ' ' ILE . 8.1 m-30 -72.51 -46.02 56.62 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.581 -0.736 . . . . 0.0 110.294 179.618 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 3.5 mmpt? -65.63 -39.25 91.26 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.646 179.454 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.56 ' HB1' ' HB3' ' A' ' 21' ' ' LEU . . . -68.89 -38.45 79.65 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.939 -0.573 . . . . 0.0 111.821 -179.503 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.738 HG23 ' O ' ' A' ' 13' ' ' TYR . 39.5 p -66.17 -32.54 74.04 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.869 0.366 . . . . 0.0 110.608 179.848 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -74.44 -45.54 45.79 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.504 -179.731 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' MET . . . . . 0.744 ' CE ' HD12 ' A' ' 21' ' ' LEU . 4.9 ptp -83.37 -14.21 53.28 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 112.295 0.48 . . . . 0.0 112.295 -179.38 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 11.6 m-80 75.09 38.95 0.41 Allowed 'General case' 0 N--CA 1.463 0.189 0 CA-C-O 121.27 0.557 . . . . 0.0 109.84 -178.806 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.775 HD23 ' N ' ' A' ' 22' ' ' ASN . 2.4 tt -55.44 160.63 2.27 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 115.365 -0.834 . . . . 0.0 110.592 -179.76 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 22' ' ' ASN . . . . . 0.775 ' N ' HD23 ' A' ' 21' ' ' LEU . 4.8 t-20 -41.99 132.28 3.2 Favored 'General case' 0 N--CA 1.47 0.575 0 N-CA-C 112.15 0.426 . . . . 0.0 112.15 -179.655 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 2.3 tpp180 -55.61 -27.9 52.13 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.011 -0.541 . . . . 0.0 111.774 -179.442 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 9.5 m-20 -69.31 -36.56 77.11 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.698 0.285 . . . . 0.0 110.922 -179.744 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' PHE . . . . . 0.813 ' CD2' HD11 ' A' ' 29' ' ' ILE . 4.9 t80 -74.94 -42.3 57.98 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 109.275 -0.639 . . . . 0.0 109.275 179.13 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 57.7 mt -60.45 -44.44 96.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 115.559 -0.746 . . . . 0.0 109.896 178.783 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -72.77 -33.41 66.29 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.242 179.433 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.598 HD23 ' N ' ' A' ' 29' ' ' ILE . 0.7 OUTLIER -66.35 -47.41 73.53 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.723 -0.671 . . . . 0.0 110.038 179.491 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.813 HD11 ' CD2' ' A' ' 25' ' ' PHE . 6.7 mt -67.9 -32.34 55.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.166 179.267 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.411 ' HB2' ' CE1' ' A' ' 13' ' ' TYR . 3.4 tt0 -76.33 -33.22 59.0 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.96 -0.563 . . . . 0.0 110.093 179.25 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 43.2 m-20 -68.01 -29.26 68.22 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.982 179.73 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 1.4 tp10 -80.43 -46.84 15.28 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 109.428 -0.582 . . . . 0.0 109.428 179.175 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.701 HG23 ' HB3' ' A' ' 38' ' ' LEU . 46.2 mt -63.68 -31.89 54.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-N 115.314 -0.857 . . . . 0.0 109.702 178.53 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 20.1 mttt -71.65 -48.37 48.21 Favored 'General case' 0 N--CA 1.456 -0.157 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.232 179.473 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 58.0 ttt180 -70.33 -23.52 62.84 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.703 179.028 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 18.7 mtt180 -82.75 5.44 21.4 Favored 'General case' 0 CA--C 1.535 0.369 0 CA-C-N 116.27 -0.423 . . . . 0.0 112.001 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 33.7 t 61.51 34.98 17.7 Favored 'General case' 0 C--O 1.232 0.147 0 CA-C-O 121.077 0.465 . . . . 0.0 110.386 -179.82 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.826 HD21 HD11 ' A' ' 10' ' ' ILE . 8.1 tp -123.01 26.83 7.93 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.639 -0.709 . . . . 0.0 110.567 -179.656 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -71.34 -7.2 63.27 Favored Glycine 0 C--N 1.335 0.489 0 C-N-CA 121.006 -0.616 . . . . 0.0 113.025 179.773 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 16.7 t60 -83.92 -31.74 25.48 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 109.587 -0.523 . . . . 0.0 109.587 178.795 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.729 HG22 ' O ' ' A' ' 38' ' ' LEU . 6.1 tp . . . . . 0 CA--C 1.533 0.317 0 CA-C-N 115.787 -0.642 . . . . 0.0 109.982 179.0 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 . . . . . 0 N--CA 1.456 -0.146 0 CA-C-O 120.862 0.363 . . . . 0.0 110.459 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -81.51 -38.33 26.44 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.863 -0.608 . . . . 0.0 111.176 179.595 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.431 HD23 HG12 ' A' ' 33' ' ' ILE . 12.4 tp -75.48 -36.61 60.6 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.367 -179.511 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.647 HD11 HD21 ' A' ' 38' ' ' LEU . 70.5 mt -75.15 -40.11 43.83 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-O 120.784 0.326 . . . . 0.0 110.457 179.92 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -60.91 -28.9 69.26 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.309 178.965 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 1.6 t -74.81 -44.27 50.28 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-O 121.072 0.463 . . . . 0.0 109.903 179.254 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.567 ' O ' HG23 ' A' ' 17' ' ' THR . 44.6 t80 -69.58 -36.59 76.41 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.646 -0.706 . . . . 0.0 110.11 179.297 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 14' ' ' PHE . . . . . 0.599 ' CE1' HG23 ' A' ' 10' ' ' ILE . 6.1 m-30 -75.09 -38.67 61.12 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.703 -0.681 . . . . 0.0 110.41 179.837 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 3.2 mmpt? -66.47 -54.87 19.2 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.403 179.018 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.594 ' HB1' ' HB3' ' A' ' 21' ' ' LEU . . . -59.59 -31.58 69.6 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.915 -0.584 . . . . 0.0 111.66 -179.623 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.567 HG23 ' O ' ' A' ' 13' ' ' TYR . 5.4 p -69.85 -32.78 71.35 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.878 0.371 . . . . 0.0 110.369 179.754 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -77.6 -46.21 22.86 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.365 -179.885 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' MET . . . . . 0.832 ' CE ' HD12 ' A' ' 21' ' ' LEU . 3.1 ptt? -81.8 -15.43 54.24 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.177 -0.465 . . . . 0.0 112.186 -179.449 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 6.3 m120 73.99 39.62 0.5 Allowed 'General case' 0 N--CA 1.463 0.183 0 CA-C-O 121.139 0.495 . . . . 0.0 110.099 -178.907 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.832 HD12 ' CE ' ' A' ' 19' ' ' MET . 2.6 tt -55.98 160.99 2.51 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.544 -0.753 . . . . 0.0 110.571 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 22' ' ' ASN . . . . . 0.789 ' N ' HD23 ' A' ' 21' ' ' LEU . 6.4 t-20 -40.86 136.53 1.41 Allowed 'General case' 0 N--CA 1.471 0.596 0 N-CA-C 112.336 0.495 . . . . 0.0 112.336 -179.65 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -55.47 -33.09 63.35 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.945 -0.571 . . . . 0.0 111.738 -179.365 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -64.56 -35.05 79.72 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.552 -0.295 . . . . 0.0 111.217 -179.502 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' PHE . . . . . 0.784 ' CD2' HD11 ' A' ' 29' ' ' ILE . 4.5 t80 -74.81 -45.31 44.31 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 109.551 -0.537 . . . . 0.0 109.551 179.389 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 45.7 mt -61.82 -41.84 92.24 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 115.7 -0.682 . . . . 0.0 110.031 179.023 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -73.58 -33.73 64.78 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.112 0.482 . . . . 0.0 110.248 179.344 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.577 HD23 ' N ' ' A' ' 29' ' ' ILE . 0.8 OUTLIER -68.64 -45.67 71.2 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.653 -0.703 . . . . 0.0 110.228 179.597 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.784 HD11 ' CD2' ' A' ' 25' ' ' PHE . 10.3 mt -68.11 -32.66 56.95 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.062 179.356 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.412 ' HB2' ' CE1' ' A' ' 13' ' ' TYR . 4.7 tm-20 -76.6 -33.0 58.43 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.516 179.372 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 43.6 m-20 -67.04 -32.59 73.89 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.945 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' GLU . . . . . 0.413 ' HG2' HD21 ' A' ' 9' ' ' LEU . 48.4 tt0 -79.16 -45.58 19.66 Favored 'General case' 0 C--N 1.328 -0.37 0 CA-C-O 121.317 0.579 . . . . 0.0 109.469 179.177 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.632 HG23 ' HB3' ' A' ' 38' ' ' LEU . 81.5 mt -63.08 -31.52 52.92 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-N 115.341 -0.845 . . . . 0.0 109.576 178.513 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 17.1 mmtt -71.59 -49.29 41.79 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.637 179.559 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.85 -22.92 63.23 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.767 179.203 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -83.71 6.66 20.23 Favored 'General case' 0 CA--C 1.533 0.319 0 N-CA-C 112.171 0.434 . . . . 0.0 112.171 -179.865 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 26.9 t 61.75 34.73 17.18 Favored 'General case' 0 C--O 1.23 0.067 0 CA-C-O 121.221 0.534 . . . . 0.0 110.182 -179.502 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.647 HD21 HD11 ' A' ' 10' ' ' ILE . 11.4 tp -122.46 22.38 9.99 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.283 -0.871 . . . . 0.0 110.762 -179.432 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -76.81 -2.14 75.34 Favored Glycine 0 C--N 1.335 0.527 0 C-N-CA 120.747 -0.74 . . . . 0.0 113.053 179.864 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 14.4 p80 -88.99 -30.75 18.52 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 117.151 0.475 . . . . 0.0 109.934 179.147 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.507 HG12 HD13 ' A' ' 10' ' ' ILE . 5.6 tp . . . . . 0 CA--C 1.531 0.221 0 CA-C-O 121.605 0.717 . . . . 0.0 109.25 179.353 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.289 0 N-CA-C 110.271 -0.27 . . . . 0.0 110.271 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 5.4 mp -79.79 -40.84 27.74 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.533 179.119 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.414 HD21 HG13 ' A' ' 33' ' ' ILE . 10.6 tp -61.65 -42.57 99.09 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.052 -0.522 . . . . 0.0 109.707 179.005 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.881 HD11 HD21 ' A' ' 38' ' ' LEU . 22.0 mt -73.68 -35.03 42.9 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.527 0 CA-C-N 115.688 -0.687 . . . . 0.0 109.804 178.995 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -61.17 -28.55 69.21 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.007 -0.542 . . . . 0.0 109.948 178.424 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -74.33 -46.45 40.75 Favored 'General case' 0 CA--C 1.52 -0.185 0 N-CA-C 109.445 -0.576 . . . . 0.0 109.445 179.104 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.827 ' O ' HG23 ' A' ' 17' ' ' THR . 74.2 t80 -62.89 -38.23 90.07 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.785 -0.643 . . . . 0.0 109.84 178.841 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 14' ' ' PHE . . . . . 0.457 ' CE1' ' CG2' ' A' ' 10' ' ' ILE . 5.4 m-30 -73.01 -50.0 25.62 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.498 -0.774 . . . . 0.0 110.227 179.659 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 7.9 mmpt? -61.34 -43.01 99.59 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.503 179.364 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.522 ' HB1' ' HB3' ' A' ' 21' ' ' LEU . . . -62.11 -39.24 91.84 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.827 -0.624 . . . . 0.0 111.807 -179.43 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.827 HG23 ' O ' ' A' ' 13' ' ' TYR . 74.7 p -65.87 -32.41 73.91 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.891 0.377 . . . . 0.0 110.457 179.777 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -75.17 -47.57 27.75 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.535 -179.832 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 19' ' ' MET . . . . . 0.777 ' HE3' HD12 ' A' ' 21' ' ' LEU . 3.6 ptt? -81.27 -13.76 58.13 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 112.272 0.471 . . . . 0.0 112.272 -179.417 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 10.4 m120 74.52 38.3 0.51 Allowed 'General case' 0 N--CA 1.463 0.178 0 CA-C-O 121.226 0.536 . . . . 0.0 110.185 -178.946 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.814 HD23 ' N ' ' A' ' 22' ' ' ASN . 3.2 tt -56.05 157.39 4.61 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 115.531 -0.759 . . . . 0.0 110.608 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 22' ' ' ASN . . . . . 0.814 ' N ' HD23 ' A' ' 21' ' ' LEU . 4.6 t-20 -43.28 131.52 4.63 Favored 'General case' 0 N--CA 1.468 0.461 0 N-CA-C 112.036 0.384 . . . . 0.0 112.036 -179.57 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -54.41 -27.09 34.45 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.976 -0.557 . . . . 0.0 111.802 -179.443 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 20.5 m-20 -67.24 -36.87 82.55 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.772 0.32 . . . . 0.0 110.824 -179.899 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' PHE . . . . . 0.784 ' HB3' HD22 ' A' ' 21' ' ' LEU . 2.5 t80 -75.65 -39.96 56.84 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 109.12 -0.696 . . . . 0.0 109.12 179.03 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 67.5 mt -62.83 -47.46 92.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 115.508 -0.769 . . . . 0.0 109.82 178.688 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 3.7 tp10 -69.16 -33.69 73.81 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.236 179.407 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.549 HD23 ' N ' ' A' ' 29' ' ' ILE . 1.1 tt -67.35 -46.81 72.29 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.116 179.483 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.688 HD11 ' CD2' ' A' ' 25' ' ' PHE . 7.7 mt -69.39 -32.35 52.92 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.115 179.221 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.408 ' HB2' ' CE1' ' A' ' 13' ' ' TYR . 9.6 tt0 -76.79 -31.82 57.24 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.219 179.156 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 6.5 m120 -70.48 -28.56 65.08 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.89 -0.596 . . . . 0.0 110.942 179.776 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -80.37 -46.01 16.77 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 109.497 -0.557 . . . . 0.0 109.497 179.254 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.725 HG23 ' HB3' ' A' ' 38' ' ' LEU . 42.8 mt -63.18 -32.02 54.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-N 115.358 -0.837 . . . . 0.0 109.71 178.64 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 27.9 mttt -69.68 -48.56 59.29 Favored 'General case' 0 N--CA 1.455 -0.177 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.32 179.449 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 2.9 tpt180 -70.88 -23.86 62.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.734 179.275 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 27.9 mtt-85 -81.14 3.33 23.9 Favored 'General case' 0 CA--C 1.535 0.37 0 N-CA-C 111.998 0.369 . . . . 0.0 111.998 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 21.5 t 63.29 33.83 13.73 Favored 'General case' 0 C--O 1.231 0.111 0 CA-C-O 121.068 0.461 . . . . 0.0 110.348 -179.824 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.881 HD21 HD11 ' A' ' 10' ' ' ILE . 8.0 tp -122.47 28.1 7.55 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.647 -0.706 . . . . 0.0 110.521 -179.807 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -71.42 -7.2 63.6 Favored Glycine 0 C--N 1.336 0.573 0 C-N-CA 121.017 -0.611 . . . . 0.0 112.993 179.73 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 12.6 t60 -84.21 -32.13 24.7 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 117.331 0.566 . . . . 0.0 109.664 178.956 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.717 HG22 ' O ' ' A' ' 38' ' ' LEU . 6.3 tp . . . . . 0 CA--C 1.532 0.264 0 CA-C-N 115.747 -0.661 . . . . 0.0 109.963 179.163 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.454 -0.264 0 CA-C-O 120.84 0.352 . . . . 0.0 110.106 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -79.88 -37.11 35.51 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.639 179.323 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.497 HD21 HG13 ' A' ' 33' ' ' ILE . 15.5 tp -75.07 -46.71 32.93 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.773 -0.649 . . . . 0.0 110.827 179.864 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.744 HD13 HG12 ' A' ' 41' ' ' ILE . 58.2 mt -67.72 -34.56 68.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.638 -179.917 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -61.67 -28.77 69.63 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.178 178.584 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 12' ' ' SER . . . . . 0.416 ' HB2' HD13 ' A' ' 29' ' ' ILE . 0.7 OUTLIER -72.97 -45.05 60.18 Favored 'General case' 0 N--CA 1.455 -0.181 0 N-CA-C 109.638 -0.505 . . . . 0.0 109.638 179.291 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.783 ' O ' HG23 ' A' ' 17' ' ' THR . 59.6 t80 -64.38 -38.39 90.87 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.781 -0.645 . . . . 0.0 109.768 178.851 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 14' ' ' PHE . . . . . 0.464 ' CE2' HG22 ' A' ' 10' ' ' ILE . 14.8 m-30 -72.72 -46.41 53.73 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.512 -0.767 . . . . 0.0 110.571 179.682 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 40.7 mtmt -64.44 -45.72 86.27 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.385 179.47 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.408 ' HB1' ' HB3' ' A' ' 21' ' ' LEU . . . -59.78 -37.5 79.24 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.933 -0.576 . . . . 0.0 111.669 -179.805 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.783 HG23 ' O ' ' A' ' 13' ' ' TYR . 47.3 p -68.44 -32.21 72.07 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.895 0.378 . . . . 0.0 110.506 179.811 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -77.77 -44.46 27.52 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.02 -0.536 . . . . 0.0 111.61 -179.764 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 19' ' ' MET . . . . . 0.806 ' CE ' HD12 ' A' ' 21' ' ' LEU . 3.8 ptt? -83.79 -15.55 48.01 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 112.172 0.434 . . . . 0.0 112.172 -179.384 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 8.1 m-80 75.6 36.38 0.48 Allowed 'General case' 0 N--CA 1.464 0.268 0 CA-C-O 121.076 0.465 . . . . 0.0 110.155 -179.125 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.823 HD23 ' N ' ' A' ' 22' ' ' ASN . 3.2 tt -56.12 157.68 4.51 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.606 -0.724 . . . . 0.0 110.605 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 22' ' ' ASN . . . . . 0.823 ' N ' HD23 ' A' ' 21' ' ' LEU . 57.8 t30 -42.37 135.56 2.63 Favored 'General case' 0 N--CA 1.47 0.534 0 N-CA-C 112.148 0.425 . . . . 0.0 112.148 -179.742 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -55.68 -27.93 52.79 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.0 -0.545 . . . . 0.0 111.773 -179.391 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -66.09 -35.68 81.16 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.718 0.294 . . . . 0.0 110.644 -179.831 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 25' ' ' PHE . . . . . 0.761 ' HB3' HD22 ' A' ' 21' ' ' LEU . 3.4 t80 -74.69 -43.64 54.16 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 109.259 -0.645 . . . . 0.0 109.259 178.943 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 60.6 mt -61.39 -46.32 96.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 115.499 -0.773 . . . . 0.0 110.168 178.902 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -71.0 -33.01 69.98 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.024 0.44 . . . . 0.0 110.412 179.605 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.561 HD23 ' N ' ' A' ' 29' ' ' ILE . 1.0 OUTLIER -68.11 -46.79 69.95 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.824 -0.625 . . . . 0.0 110.145 179.519 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.755 HD11 ' CD2' ' A' ' 25' ' ' PHE . 9.1 mt -69.4 -32.16 52.18 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.07 179.153 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.41 ' HB2' ' CE1' ' A' ' 13' ' ' TYR . 6.9 tt0 -76.41 -32.4 58.48 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.037 -0.528 . . . . 0.0 110.202 179.025 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 7.0 m-20 -70.41 -28.02 64.74 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.937 179.754 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 10.3 tp10 -80.42 -46.88 15.23 Favored 'General case' 0 CA--C 1.519 -0.238 0 N-CA-C 109.446 -0.576 . . . . 0.0 109.446 179.112 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.497 HG13 HD21 ' A' ' 9' ' ' LEU . 40.0 mt -62.87 -32.62 56.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-N 115.371 -0.831 . . . . 0.0 109.841 178.766 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 14.4 mttt -69.0 -48.16 63.75 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.236 -0.438 . . . . 0.0 109.854 179.335 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -69.22 -25.52 64.35 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.477 179.018 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -77.51 0.65 22.01 Favored 'General case' 0 CA--C 1.534 0.357 0 CA-C-N 116.219 -0.446 . . . . 0.0 112.051 179.739 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 31.1 t 61.97 33.82 17.12 Favored 'General case' 0 C--O 1.231 0.114 0 CA-C-O 121.107 0.479 . . . . 0.0 110.089 -179.352 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.809 ' O ' HG22 ' A' ' 41' ' ' ILE . 11.3 tp -123.38 24.51 8.66 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.665 -0.698 . . . . 0.0 110.913 -179.51 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -61.12 -29.03 69.98 Favored Glycine 0 C--N 1.334 0.461 0 C-N-CA 120.321 -0.943 . . . . 0.0 111.905 179.811 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 3.5 t60 -59.03 -24.02 62.47 Favored 'General case' 0 C--N 1.329 -0.303 0 O-C-N 122.59 -0.359 . . . . 0.0 110.937 179.364 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.809 HG22 ' O ' ' A' ' 38' ' ' LEU . 6.4 tp . . . . . 0 CA--C 1.535 0.388 0 CA-C-O 121.067 0.46 . . . . 0.0 110.907 -179.875 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 5.2 mt-10 . . . . . 0 N--CA 1.454 -0.266 0 CA-C-O 120.957 0.408 . . . . 0.0 110.204 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -82.13 -32.53 30.07 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.53 179.336 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.489 HD21 HG13 ' A' ' 33' ' ' ILE . 16.7 tp -75.09 -43.25 54.09 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.739 179.707 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.774 HD11 HD21 ' A' ' 38' ' ' LEU . 72.2 mt -70.91 -36.99 66.36 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.415 179.839 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.2 -28.06 69.41 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 109.964 -0.384 . . . . 0.0 109.964 178.58 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 7.4 m -71.35 -46.62 60.06 Favored 'General case' 0 N--CA 1.455 -0.225 0 N-CA-C 109.532 -0.544 . . . . 0.0 109.532 179.17 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.814 ' O ' HG23 ' A' ' 17' ' ' THR . 79.0 t80 -65.17 -41.97 94.14 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.821 -0.627 . . . . 0.0 109.916 178.941 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 14' ' ' PHE . . . . . 0.48 ' CE1' HG23 ' A' ' 10' ' ' ILE . 5.8 m-30 -67.45 -42.29 83.33 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.229 179.565 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.402 ' HB3' ' HE1' ' A' ' 19' ' ' MET . 1.7 mmpt? -66.26 -49.06 68.46 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.417 179.412 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.459 ' HA ' ' HE2' ' A' ' 19' ' ' MET . . . -59.83 -30.99 69.32 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.949 -0.569 . . . . 0.0 111.652 -179.721 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.814 HG23 ' O ' ' A' ' 13' ' ' TYR . 68.8 p -72.73 -32.45 65.7 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 109.728 -0.471 . . . . 0.0 109.728 179.208 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -76.23 -50.74 13.66 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.046 179.471 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' MET . . . . . 0.616 ' CE ' HD12 ' A' ' 21' ' ' LEU . 0.4 OUTLIER -81.87 -10.1 59.4 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.062 -0.517 . . . . 0.0 112.321 -179.875 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 7.0 m-20 65.34 45.76 2.79 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.176 0.513 . . . . 0.0 110.601 -179.295 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.772 HD23 ' N ' ' A' ' 22' ' ' ASN . 2.3 tt -58.85 161.74 4.64 Favored 'General case' 0 C--N 1.332 -0.196 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.274 179.838 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 22' ' ' ASN . . . . . 0.772 ' N ' HD23 ' A' ' 21' ' ' LEU . 5.3 t-20 -41.08 132.55 2.41 Favored 'General case' 0 N--CA 1.471 0.59 0 N-CA-C 112.181 0.438 . . . . 0.0 112.181 -179.809 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -51.94 -24.88 7.06 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 115.92 -0.582 . . . . 0.0 112.113 -179.319 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -72.59 -34.15 67.22 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.663 0.268 . . . . 0.0 111.25 -179.691 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 25' ' ' PHE . . . . . 0.76 ' HB3' HD22 ' A' ' 21' ' ' LEU . 2.5 t80 -76.07 -42.01 48.83 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 109.579 -0.526 . . . . 0.0 109.579 179.301 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 52.5 mt -61.67 -42.91 96.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 115.681 -0.69 . . . . 0.0 109.819 178.846 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 4.3 tt0 -74.97 -33.53 61.89 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.287 179.459 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.537 HD23 ' N ' ' A' ' 29' ' ' ILE . 1.1 tt -66.92 -46.8 73.7 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.714 -0.676 . . . . 0.0 110.183 179.612 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.726 HD11 ' CD2' ' A' ' 25' ' ' PHE . 6.0 mt -68.63 -32.58 55.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.01 179.252 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.406 ' HB2' ' CE1' ' A' ' 13' ' ' TYR . 1.8 tt0 -76.7 -32.87 58.14 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.366 179.234 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 39.1 m-20 -68.23 -30.25 69.26 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.98 -0.555 . . . . 0.0 111.018 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 1.7 tp10 -80.16 -46.8 15.75 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 109.391 -0.596 . . . . 0.0 109.391 179.018 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.623 HG23 ' HB3' ' A' ' 38' ' ' LEU . 58.7 mt -63.16 -31.96 54.59 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 CA-C-N 115.265 -0.879 . . . . 0.0 109.598 178.568 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 32.9 mmtt -70.9 -49.05 49.98 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.205 179.412 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 5.7 tmm_? -68.15 -22.85 64.83 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.609 178.913 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 10.7 mtt180 -83.9 7.05 19.42 Favored 'General case' 0 CA--C 1.533 0.306 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.967 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 5.2 t 60.23 32.61 20.88 Favored 'General case' 0 C--O 1.231 0.12 0 CA-C-O 121.027 0.441 . . . . 0.0 110.458 -179.626 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.779 ' O ' HG22 ' A' ' 41' ' ' ILE . 7.3 tp -123.34 23.52 9.01 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.91 -179.41 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -69.69 -8.55 60.55 Favored Glycine 0 C--N 1.337 0.613 0 C-N-CA 120.791 -0.718 . . . . 0.0 113.033 179.822 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 81.4 t60 -81.19 -32.89 33.36 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 109.354 -0.61 . . . . 0.0 109.354 178.68 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.779 HG22 ' O ' ' A' ' 38' ' ' LEU . 6.0 tp . . . . . 0 CA--C 1.535 0.365 0 CA-C-N 115.675 -0.693 . . . . 0.0 109.984 178.809 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.454 -0.225 0 CA-C-O 120.774 0.321 . . . . 0.0 110.324 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -80.11 -36.79 34.86 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.738 179.488 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.439 HD21 HG13 ' A' ' 33' ' ' ILE . 35.0 tp -75.12 -45.83 38.48 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.768 -0.651 . . . . 0.0 111.013 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.75 HD11 ' CD2' ' A' ' 38' ' ' LEU . 59.8 mt -69.17 -33.8 60.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.646 -179.947 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -62.7 -28.77 70.17 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.107 178.666 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -73.02 -45.23 58.9 Favored 'General case' 0 C--N 1.331 -0.196 0 N-CA-C 109.716 -0.475 . . . . 0.0 109.716 179.427 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.762 ' O ' HG23 ' A' ' 17' ' ' THR . 71.9 t80 -66.17 -39.87 90.09 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.813 -0.63 . . . . 0.0 109.892 178.992 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 14' ' ' PHE . . . . . 0.457 ' CE1' HG23 ' A' ' 10' ' ' ILE . 6.0 m-30 -70.5 -44.22 68.08 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.214 179.588 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 2.7 mmpt? -65.31 -48.16 74.06 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.343 179.249 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -60.14 -34.78 74.01 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.891 -0.595 . . . . 0.0 111.754 -179.719 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.762 HG23 ' O ' ' A' ' 13' ' ' TYR . 40.4 p -69.46 -32.59 71.61 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.851 0.358 . . . . 0.0 110.277 179.637 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -76.95 -46.74 23.04 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.37 179.929 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' MET . . . . . 0.862 ' CE ' HD12 ' A' ' 21' ' ' LEU . 3.2 ptt? -83.77 -9.43 58.81 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 112.415 0.524 . . . . 0.0 112.415 -179.603 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 16.1 m-80 66.28 41.43 3.4 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.102 0.477 . . . . 0.0 110.348 -178.886 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.862 HD12 ' CE ' ' A' ' 19' ' ' MET . 2.8 tt -57.48 159.9 4.56 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.676 -0.693 . . . . 0.0 110.422 179.843 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 22' ' ' ASN . . . . . 0.8 ' N ' HD23 ' A' ' 21' ' ' LEU . 30.4 t30 -42.16 137.17 1.99 Allowed 'General case' 0 N--CA 1.471 0.582 0 N-CA-C 112.121 0.415 . . . . 0.0 112.121 -179.711 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -55.21 -29.76 58.58 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.786 -179.322 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -66.2 -35.16 79.73 Favored 'General case' 0 C--N 1.327 -0.412 0 C-N-CA 120.948 -0.301 . . . . 0.0 111.152 -179.692 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' PHE . . . . . 0.788 ' CB ' HD22 ' A' ' 21' ' ' LEU . 2.6 t80 -74.38 -44.66 51.17 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 109.48 -0.563 . . . . 0.0 109.48 179.241 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 53.1 mt -61.61 -43.33 96.85 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 115.547 -0.751 . . . . 0.0 110.17 179.001 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -73.32 -34.07 65.5 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.07 0.462 . . . . 0.0 110.255 179.578 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.566 HD23 ' N ' ' A' ' 29' ' ' ILE . 0.9 OUTLIER -67.41 -46.47 73.12 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.054 179.5 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.682 HD11 ' CD2' ' A' ' 25' ' ' PHE . 6.7 mt -68.86 -32.2 53.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.14 179.312 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -76.53 -32.95 58.56 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.152 179.249 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 49.6 m-20 -70.0 -28.09 65.23 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.889 -0.596 . . . . 0.0 111.005 179.808 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 8.3 tp10 -80.54 -46.73 15.31 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 109.411 -0.588 . . . . 0.0 109.411 179.219 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.686 HG23 ' HB3' ' A' ' 38' ' ' LEU . 44.1 mt -64.8 -32.81 59.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-N 115.286 -0.87 . . . . 0.0 109.704 178.604 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 14.9 mmtt -69.82 -44.97 68.88 Favored 'General case' 0 N--CA 1.455 -0.188 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.096 179.332 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 1.7 ttt-85 -70.94 -24.6 62.47 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.486 178.831 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 7.6 mtt180 -82.85 5.84 20.38 Favored 'General case' 0 CA--C 1.533 0.298 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.992 179.778 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 48.3 t 60.38 34.5 20.66 Favored 'General case' 0 C--O 1.232 0.158 0 CA-C-O 121.13 0.49 . . . . 0.0 110.331 -179.632 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.788 ' O ' HG22 ' A' ' 41' ' ' ILE . 8.9 tp -123.04 16.87 10.02 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.717 -0.674 . . . . 0.0 111.609 -179.288 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -59.56 -25.62 61.13 Favored Glycine 0 C--N 1.336 0.54 0 C-N-CA 120.219 -0.991 . . . . 0.0 112.015 179.709 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 10.8 t60 -61.19 -26.54 67.79 Favored 'General case' 0 C--N 1.33 -0.256 0 O-C-N 122.543 -0.386 . . . . 0.0 110.533 179.065 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.788 HG22 ' O ' ' A' ' 38' ' ' LEU . 6.1 tp . . . . . 0 CA--C 1.535 0.377 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.858 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.456 -0.148 0 CA-C-O 121.139 0.495 . . . . 0.0 109.99 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -78.61 -32.95 47.71 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.584 -0.735 . . . . 0.0 110.337 179.216 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 16.8 tp -75.12 -47.44 28.59 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.502 179.639 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.756 HD11 ' CD2' ' A' ' 38' ' ' LEU . 49.8 mt -67.56 -40.48 84.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.412 179.827 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 27.9 mt-10 -58.9 -30.11 67.56 Favored 'General case' 0 C--O 1.22 -0.5 0 N-CA-C 109.952 -0.388 . . . . 0.0 109.952 178.519 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -67.7 -46.13 73.12 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.182 -0.463 . . . . 0.0 109.769 179.169 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.835 ' O ' HG23 ' A' ' 17' ' ' THR . 72.9 t80 -64.07 -41.05 97.48 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.151 179.069 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 14' ' ' PHE . . . . . 0.457 ' CZ ' ' CG2' ' A' ' 10' ' ' ILE . 7.3 m-30 -70.03 -49.02 55.5 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.393 -0.822 . . . . 0.0 111.053 -179.894 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.419 ' HD2' ' N ' ' A' ' 15' ' ' LYS . 0.0 OUTLIER -59.92 -45.25 93.19 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.471 179.84 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.492 ' HB1' ' HB3' ' A' ' 21' ' ' LEU . . . -61.65 -37.47 84.17 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.921 -0.582 . . . . 0.0 112.117 -179.413 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.835 HG23 ' O ' ' A' ' 13' ' ' TYR . 78.1 p -67.59 -32.17 72.72 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.885 0.374 . . . . 0.0 110.596 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -77.64 -46.42 22.08 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.501 -179.868 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' MET . . . . . 0.826 ' CE ' HD12 ' A' ' 21' ' ' LEU . 4.0 ptp -81.05 -15.28 56.5 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.969 -179.711 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 10.4 m-80 75.36 36.79 0.48 Allowed 'General case' 0 N--CA 1.464 0.231 0 CA-C-O 121.11 0.481 . . . . 0.0 110.122 -179.109 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.826 HD12 ' CE ' ' A' ' 19' ' ' MET . 3.0 tt -56.83 158.43 4.76 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.686 -0.688 . . . . 0.0 110.431 179.944 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 22' ' ' ASN . . . . . 0.809 ' N ' HD23 ' A' ' 21' ' ' LEU . 35.0 t30 -42.54 134.8 2.98 Favored 'General case' 0 N--CA 1.471 0.579 0 N-CA-C 112.078 0.399 . . . . 0.0 112.078 -179.57 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -56.28 -27.97 57.15 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.771 -179.396 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 1.7 t0 -65.48 -36.99 85.53 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.817 0.341 . . . . 0.0 110.693 -179.842 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' PHE . . . . . 0.739 ' CD2' HD11 ' A' ' 29' ' ' ILE . 3.3 t80 -74.23 -42.7 59.29 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 109.209 -0.663 . . . . 0.0 109.209 178.918 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 72.1 mt -60.95 -45.47 98.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 115.341 -0.845 . . . . 0.0 110.098 178.834 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -73.53 -33.27 64.65 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.437 179.75 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.574 HD23 ' N ' ' A' ' 29' ' ' ILE . 0.9 OUTLIER -67.07 -46.84 73.09 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.088 179.468 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.739 HD11 ' CD2' ' A' ' 25' ' ' PHE . 8.5 mt -68.87 -32.76 55.99 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.149 179.251 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -76.66 -32.13 57.75 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.277 179.296 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 6.8 m-20 -70.3 -28.69 65.38 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.046 -0.524 . . . . 0.0 111.06 179.808 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 16.5 tp10 -80.39 -45.74 17.19 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.271 0.558 . . . . 0.0 109.561 179.202 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.723 HG23 ' HB3' ' A' ' 38' ' ' LEU . 46.4 mt -64.03 -32.02 55.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-N 115.317 -0.856 . . . . 0.0 109.802 178.707 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 59.9 mttt -70.73 -47.32 60.35 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.135 179.305 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 10.4 ttt85 -70.67 -23.79 62.57 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.589 179.068 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 5.7 mtt180 -83.02 5.86 20.76 Favored 'General case' 0 CA--C 1.534 0.352 0 CA-C-N 116.341 -0.391 . . . . 0.0 112.05 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 8.6 t 60.91 34.38 19.55 Favored 'General case' 0 C--O 1.232 0.141 0 CA-C-O 121.039 0.447 . . . . 0.0 110.466 -179.796 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.756 ' CD2' HD11 ' A' ' 10' ' ' ILE . 9.0 tp -122.6 26.92 8.07 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.676 -0.693 . . . . 0.0 110.478 -179.656 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -70.61 -7.88 62.1 Favored Glycine 0 C--N 1.336 0.566 0 C-N-CA 121.082 -0.58 . . . . 0.0 113.146 179.889 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 39.4 p-80 -83.34 -31.53 26.75 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 117.281 0.541 . . . . 0.0 109.553 178.823 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.755 HG12 HD13 ' A' ' 10' ' ' ILE . 6.2 tp . . . . . 0 CA--C 1.533 0.296 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.046 179.161 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.454 -0.247 0 CA-C-O 120.773 0.321 . . . . 0.0 110.499 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -80.54 -36.95 32.38 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.24 179.776 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 20.3 tp -75.47 -36.93 60.56 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.426 -179.657 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.705 HD11 HD21 ' A' ' 38' ' ' LEU . 73.0 mt -74.34 -40.07 49.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-O 120.682 0.277 . . . . 0.0 110.809 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -61.88 -27.99 69.18 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 110.082 -0.34 . . . . 0.0 110.082 178.97 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -74.54 -44.97 48.58 Favored 'General case' 0 N--CA 1.456 -0.153 0 CA-C-O 121.008 0.432 . . . . 0.0 109.954 179.429 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.58 ' O ' HG23 ' A' ' 17' ' ' THR . 64.0 t80 -66.88 -36.74 82.98 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.774 -0.648 . . . . 0.0 109.904 179.043 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 14' ' ' PHE . . . . . 0.457 ' CZ ' HG23 ' A' ' 10' ' ' ILE . 7.6 m-30 -75.42 -41.17 56.65 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.522 -0.763 . . . . 0.0 110.703 179.892 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -67.02 -47.8 70.32 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.69 179.473 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.572 ' HB1' ' HB3' ' A' ' 21' ' ' LEU . . . -65.34 -35.85 82.24 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.989 -0.551 . . . . 0.0 111.619 -179.549 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.58 HG23 ' O ' ' A' ' 13' ' ' TYR . 11.6 p -67.39 -32.4 73.27 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.977 0.417 . . . . 0.0 110.544 179.88 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -74.68 -46.29 38.9 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.416 -179.759 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 19' ' ' MET . . . . . 0.785 ' CE ' HD12 ' A' ' 21' ' ' LEU . 3.9 ptt? -82.73 -14.13 55.1 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.124 -0.489 . . . . 0.0 112.178 -179.387 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 11.0 m-80 74.41 38.01 0.54 Allowed 'General case' 0 N--CA 1.464 0.228 0 CA-C-O 121.164 0.506 . . . . 0.0 109.912 -178.895 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.808 HD23 ' N ' ' A' ' 22' ' ' ASN . 2.7 tt -53.73 159.66 1.56 Allowed 'General case' 0 CA--C 1.531 0.219 0 CA-C-N 115.566 -0.743 . . . . 0.0 110.738 -179.928 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 22' ' ' ASN . . . . . 0.808 ' N ' HD23 ' A' ' 21' ' ' LEU . 30.4 t-20 -40.64 137.38 1.16 Allowed 'General case' 0 N--CA 1.472 0.636 0 N-CA-C 112.388 0.514 . . . . 0.0 112.388 -179.744 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 3.7 tpt180 -56.58 -32.06 64.84 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.959 -0.564 . . . . 0.0 111.684 -179.376 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -65.97 -35.52 80.8 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.726 0.298 . . . . 0.0 111.14 -179.603 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 25' ' ' PHE . . . . . 0.761 ' HB3' HD22 ' A' ' 21' ' ' LEU . 5.9 t80 -73.93 -45.49 50.14 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 179.146 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 47.2 mt -60.94 -46.06 97.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 115.44 -0.8 . . . . 0.0 110.031 178.838 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -68.67 -32.95 73.15 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.014 0.435 . . . . 0.0 110.166 179.302 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.592 HD23 ' N ' ' A' ' 29' ' ' ILE . 0.4 OUTLIER -68.03 -46.09 72.17 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.08 179.424 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.731 HD11 ' CD2' ' A' ' 25' ' ' PHE . 7.2 mt -69.91 -32.31 51.23 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.369 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.039 179.103 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 12.6 tt0 -76.88 -32.58 57.56 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.455 179.29 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 14.3 m-20 -69.37 -31.9 70.59 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.053 -179.83 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -79.28 -45.81 18.99 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 109.325 -0.62 . . . . 0.0 109.325 179.199 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.61 HG23 HD23 ' A' ' 38' ' ' LEU . 86.0 mt -62.06 -31.94 52.89 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 115.43 -0.804 . . . . 0.0 109.736 178.549 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 21.1 mttt -71.54 -49.33 41.85 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.512 179.617 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -70.51 -24.14 62.78 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.794 179.313 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 5.0 mtt-85 -82.98 6.23 19.42 Favored 'General case' 0 CA--C 1.533 0.306 0 N-CA-C 112.154 0.427 . . . . 0.0 112.154 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 3.4 t 61.71 31.91 18.46 Favored 'General case' 0 C--O 1.232 0.148 0 CA-C-O 121.072 0.463 . . . . 0.0 110.23 -179.56 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.705 HD21 HD11 ' A' ' 10' ' ' ILE . 5.3 tp -117.95 21.27 12.93 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.603 -0.726 . . . . 0.0 110.78 -179.862 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -73.39 -4.73 65.29 Favored Glycine 0 C--N 1.337 0.628 0 C-N-CA 120.88 -0.676 . . . . 0.0 113.183 179.905 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 74.6 t60 -88.55 -31.4 18.68 Favored 'General case' 0 N--CA 1.455 -0.196 0 CA-C-N 117.292 0.546 . . . . 0.0 110.401 179.599 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.548 HG12 HD13 ' A' ' 10' ' ' ILE . 5.2 tp . . . . . 0 CA--C 1.533 0.289 0 CA-C-O 121.596 0.712 . . . . 0.0 109.368 179.517 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 . . . . . 0 N--CA 1.454 -0.231 0 CA-C-O 120.913 0.387 . . . . 0.0 110.247 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -80.68 -36.31 32.53 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.844 179.489 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.451 HD21 HG13 ' A' ' 33' ' ' ILE . 26.7 tp -75.14 -44.08 48.96 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.889 179.927 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.682 HD13 HG12 ' A' ' 41' ' ' ILE . 66.2 mt -70.59 -34.39 57.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.486 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 29.6 mt-10 -62.63 -28.67 70.07 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.082 178.827 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 2.0 m -72.87 -46.45 52.8 Favored 'General case' 0 C--N 1.331 -0.215 0 N-CA-C 109.692 -0.485 . . . . 0.0 109.692 179.302 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.685 ' O ' HG23 ' A' ' 17' ' ' THR . 63.2 t80 -64.58 -39.51 93.88 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.935 -0.575 . . . . 0.0 109.895 178.842 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 14' ' ' PHE . . . . . 0.467 ' CE1' HG23 ' A' ' 10' ' ' ILE . 5.7 m-30 -70.43 -45.42 65.87 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.246 179.6 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 2.1 mmpt? -65.51 -47.6 75.44 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.448 179.463 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.551 ' HB1' ' HB3' ' A' ' 21' ' ' LEU . . . -61.88 -34.87 76.8 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.82 -0.627 . . . . 0.0 111.654 -179.637 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.685 HG23 ' O ' ' A' ' 13' ' ' TYR . 20.7 p -69.16 -32.59 72.03 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.873 0.368 . . . . 0.0 110.378 179.705 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 -75.5 -45.86 35.81 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.059 -0.518 . . . . 0.0 111.476 -179.874 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' MET . . . . . 0.768 ' CE ' HD12 ' A' ' 21' ' ' LEU . 3.5 ptt? -82.93 -14.73 53.6 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.036 -0.529 . . . . 0.0 112.127 -179.476 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 9.8 m120 74.46 39.45 0.46 Allowed 'General case' 0 N--CA 1.462 0.17 0 CA-C-O 121.249 0.547 . . . . 0.0 110.119 -178.976 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.819 HD23 ' N ' ' A' ' 22' ' ' ASN . 3.1 tt -55.82 158.44 3.68 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 115.537 -0.756 . . . . 0.0 110.505 -179.919 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 22' ' ' ASN . . . . . 0.819 ' N ' HD23 ' A' ' 21' ' ' LEU . 42.0 t-20 -41.7 132.99 2.83 Favored 'General case' 0 N--CA 1.471 0.591 0 N-CA-C 112.137 0.421 . . . . 0.0 112.137 -179.752 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 18.5 tpt180 -53.19 -29.46 32.08 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.973 -0.558 . . . . 0.0 111.974 -179.249 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -67.11 -36.09 81.16 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.77 0.319 . . . . 0.0 111.047 -179.787 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 25' ' ' PHE . . . . . 0.819 ' CD2' HD11 ' A' ' 29' ' ' ILE . 7.7 t80 -74.26 -43.42 57.0 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 109.237 -0.653 . . . . 0.0 109.237 179.111 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 56.7 mt -61.9 -47.32 93.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 115.464 -0.789 . . . . 0.0 109.896 178.872 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -68.82 -31.18 69.98 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.979 0.419 . . . . 0.0 110.352 179.407 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.591 HD23 ' N ' ' A' ' 29' ' ' ILE . 0.5 OUTLIER -68.74 -46.85 67.78 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.009 179.538 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.819 HD11 ' CD2' ' A' ' 25' ' ' PHE . 9.0 mt -70.17 -31.93 49.12 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-O 120.972 0.415 . . . . 0.0 110.019 179.148 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.412 ' HB2' ' CE1' ' A' ' 13' ' ' TYR . 11.1 tt0 -76.75 -33.28 58.12 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.183 179.156 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 17.1 m-20 -69.09 -29.88 68.06 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.982 179.884 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 8.1 tp10 -80.17 -45.37 18.22 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.249 0.547 . . . . 0.0 109.541 179.204 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.557 HG23 ' HB3' ' A' ' 38' ' ' LEU . 73.5 mt -64.42 -33.48 63.14 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-N 115.385 -0.825 . . . . 0.0 109.62 178.71 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 11.1 mttt -68.19 -47.27 68.39 Favored 'General case' 0 N--CA 1.454 -0.227 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.017 179.388 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 25.8 ttt180 -70.54 -25.51 63.14 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.708 179.291 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 28.8 mtt180 -79.41 1.91 23.67 Favored 'General case' 0 CA--C 1.534 0.339 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.89 179.677 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 8.5 t 61.39 34.28 18.37 Favored 'General case' 0 C--O 1.231 0.128 0 CA-C-O 121.023 0.44 . . . . 0.0 110.034 -179.315 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.799 ' O ' HG22 ' A' ' 41' ' ' ILE . 9.5 tp -123.17 18.12 9.94 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.631 -0.713 . . . . 0.0 111.201 -179.501 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -59.31 -28.8 64.99 Favored Glycine 0 C--N 1.335 0.526 0 C-N-CA 120.526 -0.845 . . . . 0.0 111.903 179.35 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 32.0 p80 -58.9 -27.75 65.53 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.875 0.369 . . . . 0.0 110.441 179.175 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.799 HG22 ' O ' ' A' ' 38' ' ' LEU . 6.1 tp . . . . . 0 CA--C 1.532 0.281 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.231 179.618 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 . . . . . 0 N--CA 1.455 -0.22 0 CA-C-O 120.759 0.314 . . . . 0.0 110.384 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -82.16 -36.77 27.05 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.974 -0.557 . . . . 0.0 111.178 179.515 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 17.0 tp -75.25 -37.2 61.1 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.381 -179.761 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.636 HD13 HG12 ' A' ' 41' ' ' ILE . 62.4 mt -74.91 -40.25 45.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.462 179.911 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -61.31 -28.33 69.12 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.127 178.907 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 1.7 t -74.22 -44.26 53.86 Favored 'General case' 0 CA--C 1.52 -0.174 0 N-CA-C 109.773 -0.455 . . . . 0.0 109.773 179.249 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.797 ' O ' HG23 ' A' ' 17' ' ' THR . 80.9 t80 -67.74 -39.22 84.26 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.711 -0.677 . . . . 0.0 109.815 179.057 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 14' ' ' PHE . . . . . 0.458 ' CZ ' ' CG2' ' A' ' 10' ' ' ILE . 10.1 m-30 -72.81 -40.5 65.77 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.531 -0.759 . . . . 0.0 110.595 179.819 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 3.0 mmpt? -66.36 -48.52 69.94 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.407 179.264 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.42 ' HB1' ' HB3' ' A' ' 21' ' ' LEU . . . -59.07 -35.7 73.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.825 -0.625 . . . . 0.0 111.632 -179.647 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.797 HG23 ' O ' ' A' ' 13' ' ' TYR . 68.4 p -70.02 -32.47 70.64 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.882 0.373 . . . . 0.0 110.351 179.661 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -77.41 -44.76 28.06 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.408 -179.802 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' MET . . . . . 0.829 ' CE ' HD12 ' A' ' 21' ' ' LEU . 4.0 ptp -83.92 -15.5 47.73 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 112.217 0.451 . . . . 0.0 112.217 -179.356 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 17.4 m-20 74.84 37.69 0.5 Allowed 'General case' 0 N--CA 1.463 0.186 0 CA-C-O 121.135 0.493 . . . . 0.0 110.092 -178.99 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.829 HD12 ' CE ' ' A' ' 19' ' ' MET . 3.0 tt -56.37 158.64 4.12 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 115.556 -0.747 . . . . 0.0 110.652 -179.893 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 22' ' ' ASN . . . . . 0.802 ' N ' HD23 ' A' ' 21' ' ' LEU . 37.8 t-20 -43.22 136.69 2.86 Favored 'General case' 0 N--CA 1.469 0.501 0 N-CA-C 112.105 0.409 . . . . 0.0 112.105 -179.681 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 10.7 tpt180 -56.72 -31.11 64.18 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.953 -0.567 . . . . 0.0 111.57 -179.462 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 52.4 m-20 -64.46 -35.12 79.89 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 120.77 0.319 . . . . 0.0 110.964 -179.62 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' PHE . . . . . 0.894 ' CD2' HD11 ' A' ' 29' ' ' ILE . 6.4 t80 -74.54 -43.73 54.45 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 109.291 -0.633 . . . . 0.0 109.291 179.04 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 53.8 mt -60.37 -46.27 95.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 115.559 -0.746 . . . . 0.0 110.117 178.893 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -68.27 -33.33 74.16 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.136 0.493 . . . . 0.0 110.235 179.375 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.591 HD23 ' N ' ' A' ' 29' ' ' ILE . 0.5 OUTLIER -68.51 -46.12 70.45 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.689 -0.687 . . . . 0.0 110.175 179.615 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.894 HD11 ' CD2' ' A' ' 25' ' ' PHE . 8.4 mt -69.65 -32.7 53.46 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.313 -0.403 . . . . 0.0 109.96 179.183 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 9.1 tt0 -77.16 -32.25 56.13 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.557 179.405 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -70.1 -30.08 67.2 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.14 -179.905 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 3.6 tp10 -80.36 -45.05 18.42 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 109.627 -0.508 . . . . 0.0 109.627 179.273 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.705 HG23 ' HB3' ' A' ' 38' ' ' LEU . 64.3 mt -63.23 -31.84 54.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-N 115.482 -0.781 . . . . 0.0 109.755 178.727 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 24.9 mttt -71.32 -49.17 45.32 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.66 179.707 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -70.61 -23.55 62.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.822 179.291 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 13.1 mtt180 -82.82 5.56 21.18 Favored 'General case' 0 CA--C 1.533 0.311 0 N-CA-C 112.16 0.43 . . . . 0.0 112.16 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 4.5 t 61.51 33.88 18.26 Favored 'General case' 0 C--O 1.231 0.094 0 CA-C-O 121.133 0.492 . . . . 0.0 110.185 -179.502 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.705 ' HB3' HG23 ' A' ' 33' ' ' ILE . 12.8 tp -117.64 3.85 12.36 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.443 -0.798 . . . . 0.0 111.599 -179.622 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -56.65 -24.36 47.45 Favored Glycine 0 C--N 1.34 0.806 0 C-N-CA 120.485 -0.864 . . . . 0.0 112.372 179.88 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 18.0 t60 -62.8 -17.41 61.16 Favored 'General case' 0 C--N 1.329 -0.304 0 O-C-N 122.628 -0.336 . . . . 0.0 111.28 179.393 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.636 HG12 HD13 ' A' ' 10' ' ' ILE . 5.8 tp . . . . . 0 CA--C 1.533 0.305 0 CA-C-O 121.236 0.541 . . . . 0.0 110.716 -179.444 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 . . . . . 0 N--CA 1.455 -0.217 0 CA-C-O 120.898 0.38 . . . . 0.0 110.319 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -80.1 -36.2 35.75 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.762 179.529 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.455 HD21 HG13 ' A' ' 33' ' ' ILE . 27.3 tp -74.98 -45.37 42.55 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.903 -0.589 . . . . 0.0 110.87 179.902 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.769 HD11 HD21 ' A' ' 38' ' ' LEU . 60.2 mt -69.27 -35.82 69.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.598 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 24.5 mt-10 -62.2 -28.86 69.97 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 109.992 -0.373 . . . . 0.0 109.992 178.53 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 2.0 m -70.66 -45.28 65.41 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 121.122 0.487 . . . . 0.0 109.806 179.245 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.796 ' O ' HG23 ' A' ' 17' ' ' THR . 78.4 t80 -65.33 -40.6 93.9 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.743 -0.662 . . . . 0.0 109.953 179.083 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 14' ' ' PHE . . . . . 0.456 ' CZ ' ' CG2' ' A' ' 10' ' ' ILE . 10.2 m-30 -69.66 -45.86 67.44 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.584 -0.734 . . . . 0.0 110.64 179.751 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -63.76 -45.48 89.61 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.583 179.518 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.421 ' HB1' ' HB3' ' A' ' 21' ' ' LEU . . . -62.19 -35.75 79.8 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.769 -179.612 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.796 HG23 ' O ' ' A' ' 13' ' ' TYR . 59.9 p -68.79 -32.34 71.99 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 120.915 0.388 . . . . 0.0 110.509 179.796 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -77.2 -45.07 27.84 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.551 -179.774 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' MET . . . . . 0.843 ' CE ' HD12 ' A' ' 21' ' ' LEU . 3.9 ptt? -83.45 -15.78 48.27 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 112.144 0.424 . . . . 0.0 112.144 -179.42 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 11.9 m-80 75.04 37.22 0.49 Allowed 'General case' 0 N--CA 1.463 0.207 0 CA-C-O 121.117 0.484 . . . . 0.0 109.939 -178.938 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.843 HD12 ' CE ' ' A' ' 19' ' ' MET . 2.7 tt -55.05 160.13 2.17 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.57 -0.741 . . . . 0.0 110.718 -179.927 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 22' ' ' ASN . . . . . 0.792 ' N ' HD23 ' A' ' 21' ' ' LEU . 30.8 t-20 -42.52 134.22 3.13 Favored 'General case' 0 N--CA 1.47 0.558 0 CA-C-O 120.982 0.42 . . . . 0.0 112.079 -179.661 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 3.8 tpt180 -54.98 -27.04 40.9 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.964 -0.562 . . . . 0.0 111.893 -179.355 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -68.14 -35.73 78.54 Favored 'General case' 0 C--N 1.327 -0.395 0 C-N-CA 121.005 -0.278 . . . . 0.0 111.02 -179.717 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 25' ' ' PHE . . . . . 0.763 ' CD2' HD11 ' A' ' 29' ' ' ILE . 3.3 t80 -75.23 -42.78 54.55 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 109.416 -0.587 . . . . 0.0 109.416 179.225 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 56.2 mt -60.92 -43.01 94.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 115.577 -0.738 . . . . 0.0 109.985 178.858 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -74.99 -32.99 61.8 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.349 179.573 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.577 HD23 ' N ' ' A' ' 29' ' ' ILE . 0.8 OUTLIER -67.87 -46.16 72.48 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.76 -0.655 . . . . 0.0 110.223 179.696 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.763 HD11 ' CD2' ' A' ' 25' ' ' PHE . 8.7 mt -69.35 -32.44 53.4 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.197 179.302 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.407 ' HB2' ' CE1' ' A' ' 13' ' ' TYR . 1.1 tt0 -76.63 -32.43 58.02 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.96 -0.563 . . . . 0.0 110.207 179.231 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 51.6 m-20 -70.55 -28.44 64.91 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.928 -0.578 . . . . 0.0 111.057 179.857 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 6.8 tt0 -80.5 -46.82 15.22 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 109.436 -0.579 . . . . 0.0 109.436 179.157 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.686 HG23 ' HB3' ' A' ' 38' ' ' LEU . 50.9 mt -64.04 -31.96 55.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-N 115.35 -0.841 . . . . 0.0 109.692 178.641 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 19.8 mmtt -70.57 -47.44 60.23 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.216 179.275 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -69.67 -23.46 63.46 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.573 178.919 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 6.7 mtp180 -83.37 6.17 20.88 Favored 'General case' 0 CA--C 1.533 0.304 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.948 179.827 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 3.3 t 60.91 34.15 19.63 Favored 'General case' 0 C--O 1.23 0.077 0 CA-C-O 121.075 0.464 . . . . 0.0 110.368 -179.661 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.774 ' O ' HG22 ' A' ' 41' ' ' ILE . 9.0 tp -123.2 15.19 9.8 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.658 -0.701 . . . . 0.0 111.664 -179.383 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -58.83 -25.93 59.77 Favored Glycine 0 C--N 1.338 0.648 0 C-N-CA 120.183 -1.008 . . . . 0.0 111.96 179.551 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 26.5 p80 -60.76 -24.48 65.78 Favored 'General case' 0 C--N 1.328 -0.338 0 O-C-N 122.585 -0.362 . . . . 0.0 110.526 178.916 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.774 HG22 ' O ' ' A' ' 38' ' ' LEU . 6.2 tp . . . . . 0 CA--C 1.534 0.364 0 CA-C-O 121.059 0.457 . . . . 0.0 110.863 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 . . . . . 0 N--CA 1.456 -0.156 0 CA-C-O 120.855 0.36 . . . . 0.0 110.381 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -80.99 -34.46 32.95 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.872 -0.603 . . . . 0.0 110.668 179.482 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.522 HD21 HG13 ' A' ' 33' ' ' ILE . 20.2 tp -75.18 -43.71 50.69 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.877 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.794 HD11 HD21 ' A' ' 38' ' ' LEU . 60.4 mt -71.58 -34.4 52.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.53 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -63.69 -28.66 70.05 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.174 178.955 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 12' ' ' SER . . . . . 0.564 ' OG ' HG21 ' A' ' 29' ' ' ILE . 77.6 p -74.67 -43.03 57.3 Favored 'General case' 0 C--N 1.331 -0.2 0 N-CA-C 109.722 -0.473 . . . . 0.0 109.722 179.389 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.703 ' O ' HG23 ' A' ' 17' ' ' THR . 74.7 t80 -66.53 -38.83 87.99 Favored 'General case' 0 C--N 1.331 -0.211 0 N-CA-C 109.558 -0.534 . . . . 0.0 109.558 178.749 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 14' ' ' PHE . . . . . 0.461 ' CE1' HG23 ' A' ' 10' ' ' ILE . 6.4 m-30 -72.0 -46.85 55.7 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.522 -0.763 . . . . 0.0 110.309 179.704 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 2.8 mmpt? -64.11 -45.1 90.12 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.408 179.337 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.545 ' HB1' ' HB3' ' A' ' 21' ' ' LEU . . . -63.15 -38.18 90.15 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.773 -0.648 . . . . 0.0 111.672 -179.627 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.703 HG23 ' O ' ' A' ' 13' ' ' TYR . 24.7 p -66.17 -32.48 73.94 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.859 0.361 . . . . 0.0 110.555 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 5.0 mt-10 -75.35 -46.33 33.8 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.508 -179.718 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' MET . . . . . 0.766 ' HE3' HD12 ' A' ' 21' ' ' LEU . 3.7 ptt? -82.1 -14.19 56.13 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.217 -0.447 . . . . 0.0 112.187 -179.436 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 1.2 m-20 74.56 39.43 0.45 Allowed 'General case' 0 N--CA 1.461 0.123 0 CA-C-O 121.197 0.523 . . . . 0.0 110.084 -178.839 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.804 HD22 ' HB3' ' A' ' 25' ' ' PHE . 2.8 tt -55.57 159.3 2.96 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 115.479 -0.782 . . . . 0.0 110.448 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 22' ' ' ASN . . . . . 0.798 ' N ' HD23 ' A' ' 21' ' ' LEU . 50.0 t30 -42.14 132.52 3.27 Favored 'General case' 0 N--CA 1.471 0.599 0 N-CA-C 112.088 0.403 . . . . 0.0 112.088 -179.757 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 2.2 tpp180 -54.62 -27.14 37.36 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.956 -0.565 . . . . 0.0 111.836 -179.342 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 1.4 t0 -68.8 -37.03 78.96 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.738 0.304 . . . . 0.0 110.952 -179.86 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' PHE . . . . . 0.804 ' HB3' HD22 ' A' ' 21' ' ' LEU . 5.9 t80 -74.99 -41.54 59.3 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 109.5 -0.555 . . . . 0.0 109.5 179.219 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 59.3 mt -62.18 -42.89 96.9 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 115.561 -0.745 . . . . 0.0 109.955 178.929 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -73.51 -33.43 64.77 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.005 0.431 . . . . 0.0 110.199 179.296 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.634 HD23 ' N ' ' A' ' 29' ' ' ILE . 0.4 OUTLIER -65.51 -47.71 75.04 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.727 -0.669 . . . . 0.0 109.982 179.367 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.758 HD11 ' CD2' ' A' ' 25' ' ' PHE . 7.3 mt -68.13 -32.11 54.62 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.376 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.207 179.248 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -75.96 -33.31 59.78 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.087 179.22 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 52.6 m-20 -68.2 -29.14 67.92 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.872 -0.603 . . . . 0.0 110.949 179.69 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -80.46 -47.17 14.72 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 109.464 -0.569 . . . . 0.0 109.464 179.077 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.715 HG23 ' HB3' ' A' ' 38' ' ' LEU . 48.5 mt -63.66 -31.96 55.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-N 115.307 -0.86 . . . . 0.0 109.654 178.632 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 14.3 mttt -71.51 -47.67 53.81 Favored 'General case' 0 N--CA 1.455 -0.189 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.217 179.462 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 6.2 ttt180 -71.0 -23.44 62.19 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.683 178.96 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 78.6 mtt180 -83.03 5.46 22.19 Favored 'General case' 0 CA--C 1.534 0.351 0 CA-C-N 116.33 -0.396 . . . . 0.0 111.937 179.876 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 47.7 t 61.42 35.12 17.91 Favored 'General case' 0 C--O 1.231 0.098 0 CA-C-O 121.083 0.468 . . . . 0.0 110.407 -179.922 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.794 HD21 HD11 ' A' ' 10' ' ' ILE . 8.2 tp -123.14 25.17 8.58 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.725 -0.671 . . . . 0.0 110.687 -179.592 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -69.02 -9.56 60.18 Favored Glycine 0 C--N 1.336 0.572 0 C-N-CA 120.982 -0.627 . . . . 0.0 112.963 179.815 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 1.9 p-80 -81.7 -29.15 33.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 117.363 0.582 . . . . 0.0 109.889 178.944 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.744 HG22 ' O ' ' A' ' 38' ' ' LEU . 6.2 tp . . . . . 0 CA--C 1.533 0.303 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.207 179.316 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 . . . . . 0 N--CA 1.455 -0.204 0 CA-C-O 120.856 0.36 . . . . 0.0 110.378 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -82.25 -37.48 25.86 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.046 179.576 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 18.8 tp -75.22 -37.54 61.06 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.223 -179.816 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.699 HD11 HD21 ' A' ' 38' ' ' LEU . 62.8 mt -75.83 -37.35 34.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-O 120.837 0.351 . . . . 0.0 110.326 179.8 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 32.1 mt-10 -62.22 -29.2 70.22 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.211 178.921 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 12' ' ' SER . . . . . 0.475 ' OG ' HG21 ' A' ' 29' ' ' ILE . 95.7 p -74.71 -43.76 53.43 Favored 'General case' 0 C--N 1.331 -0.214 0 N-CA-C 109.826 -0.435 . . . . 0.0 109.826 179.26 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.645 ' O ' HG23 ' A' ' 17' ' ' THR . 59.8 t80 -68.19 -37.78 81.29 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.823 -0.626 . . . . 0.0 109.857 178.945 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 14' ' ' PHE . . . . . 0.46 ' CZ ' ' CG2' ' A' ' 10' ' ' ILE . 8.1 m-30 -73.92 -41.37 62.17 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.698 -0.683 . . . . 0.0 110.481 179.835 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 1.5 mmpt? -64.94 -48.68 73.22 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.649 179.323 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.69 ' HB1' ' HB3' ' A' ' 21' ' ' LEU . . . -64.18 -35.21 80.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.935 -0.575 . . . . 0.0 111.759 -179.493 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.645 HG23 ' O ' ' A' ' 13' ' ' TYR . 16.2 p -66.21 -32.71 74.3 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.895 0.379 . . . . 0.0 110.512 179.791 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -74.86 -48.69 23.64 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.298 -179.884 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' MET . . . . . 0.72 ' HE3' HD12 ' A' ' 21' ' ' LEU . 3.7 ptt? -80.35 -12.02 59.64 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.032 -0.531 . . . . 0.0 112.359 -179.472 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER 72.51 42.34 0.53 Allowed 'General case' 0 N--CA 1.463 0.224 0 CA-C-O 121.22 0.533 . . . . 0.0 109.966 -179.004 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.829 HD22 ' HB3' ' A' ' 25' ' ' PHE . 2.9 tt -57.11 158.3 5.26 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.499 -0.773 . . . . 0.0 110.52 -179.894 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 22' ' ' ASN . . . . . 0.801 ' N ' HD23 ' A' ' 21' ' ' LEU . 61.8 t30 -42.97 136.66 2.65 Favored 'General case' 0 N--CA 1.471 0.587 0 N-CA-C 112.159 0.429 . . . . 0.0 112.159 -179.645 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.81 -32.02 63.18 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.966 -0.561 . . . . 0.0 111.823 -179.354 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -65.32 -35.59 81.46 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.718 0.294 . . . . 0.0 111.202 -179.51 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' PHE . . . . . 0.912 ' CD2' HD11 ' A' ' 29' ' ' ILE . 8.3 t80 -74.79 -44.53 49.05 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 109.263 -0.643 . . . . 0.0 109.263 179.184 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 52.5 mt -61.07 -46.14 97.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 115.527 -0.76 . . . . 0.0 110.092 178.851 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 5.2 tt0 -69.22 -32.64 72.02 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.999 0.428 . . . . 0.0 110.07 179.303 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.605 HD23 ' N ' ' A' ' 29' ' ' ILE . 0.4 OUTLIER -66.92 -46.99 73.1 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.706 -0.679 . . . . 0.0 109.812 179.223 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.912 HD11 ' CD2' ' A' ' 25' ' ' PHE . 8.8 mt -68.81 -32.13 53.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.014 179.085 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 8.7 tt0 -76.45 -32.25 58.32 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.311 179.321 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 53.4 m-20 -67.54 -34.74 77.7 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.891 179.79 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 7.2 tt0 -77.03 -46.06 25.04 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 109.353 -0.61 . . . . 0.0 109.353 179.146 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.624 HG23 HD23 ' A' ' 38' ' ' LEU . 85.2 mt -61.2 -31.93 51.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 115.381 -0.827 . . . . 0.0 109.691 178.599 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 11.2 mttt -71.79 -49.41 39.07 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.452 179.647 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.75 -24.22 62.57 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.627 179.377 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -83.11 5.89 21.0 Favored 'General case' 0 CA--C 1.532 0.276 0 N-CA-C 112.159 0.429 . . . . 0.0 112.159 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 23.1 t 61.88 32.75 17.89 Favored 'General case' 0 C--O 1.231 0.11 0 CA-C-O 121.23 0.538 . . . . 0.0 110.285 -179.415 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.699 HD21 HD11 ' A' ' 10' ' ' ILE . 3.5 tp -120.87 17.25 11.81 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.523 -0.762 . . . . 0.0 110.995 -179.783 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -71.36 -7.31 63.6 Favored Glycine 0 C--N 1.337 0.625 0 C-N-CA 120.567 -0.825 . . . . 0.0 112.807 179.524 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 7.2 p80 -81.26 -29.38 34.4 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 117.238 0.519 . . . . 0.0 110.247 179.348 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.62 HG12 HD13 ' A' ' 10' ' ' ILE . 5.6 tp . . . . . 0 CA--C 1.534 0.331 0 CA-C-O 121.423 0.63 . . . . 0.0 110.014 179.823 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 . . . . . 0 N--CA 1.454 -0.246 0 CA-C-O 120.912 0.387 . . . . 0.0 110.289 . . . . . . . . . 0 0 . 1 . 021 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -81.76 -34.43 30.42 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.504 179.332 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.552 HD12 HG23 ' A' ' 29' ' ' ILE . 38.8 tp -75.44 -45.55 38.02 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.918 179.738 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.693 HD13 HG12 ' A' ' 41' ' ' ILE . 86.7 mt -68.93 -37.82 77.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.832 -179.808 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -60.91 -28.69 69.11 Favored 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 109.798 -0.445 . . . . 0.0 109.798 178.35 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 12' ' ' SER . . . . . 0.465 ' HB2' HG21 ' A' ' 29' ' ' ILE . 13.5 m -68.82 -47.65 65.52 Favored 'General case' 0 N--CA 1.455 -0.177 0 CA-C-O 121.069 0.461 . . . . 0.0 109.855 179.21 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.565 ' O ' HG23 ' A' ' 17' ' ' THR . 67.8 t80 -64.61 -36.25 83.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.353 179.212 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 14' ' ' PHE . . . . . 0.457 ' CZ ' ' CG2' ' A' ' 10' ' ' ILE . 6.9 m-30 -74.61 -41.92 59.58 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.571 -0.741 . . . . 0.0 110.525 -179.955 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.453 ' HB3' ' HE1' ' A' ' 19' ' ' MET . 1.8 mtpt -67.05 -52.8 37.69 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.158 179.296 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.531 ' HA ' ' HE2' ' A' ' 19' ' ' MET . . . -59.44 -30.82 68.77 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.795 -0.639 . . . . 0.0 111.552 -179.905 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.565 HG23 ' O ' ' A' ' 13' ' ' TYR . 5.3 p -71.86 -32.35 67.4 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 109.92 -0.4 . . . . 0.0 109.92 179.259 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 13.3 mt-10 -76.91 -51.63 10.86 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.943 -0.571 . . . . 0.0 111.088 179.49 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 19' ' ' MET . . . . . 0.57 ' CE ' HD12 ' A' ' 21' ' ' LEU . 0.1 OUTLIER -77.72 -15.78 58.9 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.971 -179.92 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 11.4 m120 73.32 42.89 0.4 Allowed 'General case' 0 N--CA 1.464 0.258 0 CA-C-O 121.17 0.509 . . . . 0.0 110.387 -179.477 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.802 HD23 ' N ' ' A' ' 22' ' ' ASN . 2.6 tt -58.67 159.31 6.79 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.747 -0.66 . . . . 0.0 110.428 179.932 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 22' ' ' ASN . . . . . 0.802 ' N ' HD23 ' A' ' 21' ' ' LEU . 39.2 t-20 -40.9 138.16 1.09 Allowed 'General case' 0 N--CA 1.472 0.631 0 N-CA-C 112.3 0.481 . . . . 0.0 112.3 -179.613 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 3.3 ttt180 -55.21 -30.71 60.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.844 -0.616 . . . . 0.0 111.876 -179.338 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 43.3 m-20 -66.18 -33.91 76.84 Favored 'General case' 0 C--N 1.326 -0.431 0 C-N-CA 121.009 -0.277 . . . . 0.0 111.106 -179.523 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 25' ' ' PHE . . . . . 0.789 ' CB ' HD22 ' A' ' 21' ' ' LEU . 2.5 t80 -75.39 -45.12 41.07 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 109.518 -0.549 . . . . 0.0 109.518 179.289 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 45.7 mt -61.71 -42.53 94.69 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 115.562 -0.745 . . . . 0.0 110.029 178.989 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -73.59 -33.54 64.66 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.228 179.514 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.589 HD23 ' N ' ' A' ' 29' ' ' ILE . 0.7 OUTLIER -67.32 -46.73 72.62 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.782 -0.645 . . . . 0.0 110.075 179.572 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.589 ' N ' HD23 ' A' ' 28' ' ' LEU . 10.9 mt -68.9 -32.53 55.01 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.055 179.08 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -76.51 -33.18 58.62 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.326 179.338 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 13.2 m-20 -69.7 -28.5 65.89 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.895 -0.593 . . . . 0.0 111.122 179.991 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 20.0 tp10 -80.73 -46.74 15.01 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 109.424 -0.584 . . . . 0.0 109.424 179.236 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.694 HG23 ' HB3' ' A' ' 38' ' ' LEU . 46.8 mt -64.56 -32.59 58.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-N 115.355 -0.839 . . . . 0.0 109.71 178.699 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 16.9 mmtt -69.56 -45.25 69.14 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.237 179.436 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.85 -24.04 62.44 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.477 178.729 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 3.4 mtt-85 -83.78 7.1 18.91 Favored 'General case' 0 CA--C 1.534 0.355 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.961 179.888 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 10.3 t 58.78 34.6 23.84 Favored 'General case' 0 C--O 1.232 0.147 0 CA-C-O 120.961 0.41 . . . . 0.0 110.488 -179.639 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.771 ' O ' HG22 ' A' ' 41' ' ' ILE . 8.6 tp -122.88 15.47 10.06 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.753 -0.658 . . . . 0.0 111.514 -179.457 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -59.23 -24.57 59.0 Favored Glycine 0 C--N 1.339 0.726 0 C-N-CA 120.313 -0.946 . . . . 0.0 112.062 179.682 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 29.6 p80 -62.58 -26.69 68.73 Favored 'General case' 0 C--N 1.327 -0.388 0 O-C-N 122.46 -0.435 . . . . 0.0 110.392 179.034 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.771 HG22 ' O ' ' A' ' 38' ' ' LEU . 5.6 tp . . . . . 0 CA--C 1.536 0.439 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.769 179.96 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.454 -0.251 0 CA-C-O 120.898 0.38 . . . . 0.0 110.349 . . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -79.35 -37.35 37.68 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.901 -0.59 . . . . 0.0 110.824 179.533 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.537 HD21 HG13 ' A' ' 33' ' ' ILE . 36.5 tp -75.15 -45.26 41.99 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.848 -0.615 . . . . 0.0 111.155 -179.88 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.679 HD13 HG12 ' A' ' 41' ' ' ILE . 72.4 mt -69.19 -34.35 62.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.678 -179.987 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -62.3 -28.81 69.99 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.146 178.645 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -72.9 -45.83 56.01 Favored 'General case' 0 C--N 1.331 -0.231 0 N-CA-C 109.8 -0.444 . . . . 0.0 109.8 179.45 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.737 ' O ' HG23 ' A' ' 17' ' ' THR . 63.0 t80 -65.73 -37.97 87.86 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.929 -0.578 . . . . 0.0 109.994 178.975 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 14' ' ' PHE . . . . . 0.452 ' CZ ' ' CG2' ' A' ' 10' ' ' ILE . 8.1 m-30 -72.6 -42.73 64.19 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.676 -0.693 . . . . 0.0 110.455 179.699 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 5.9 mmpt? -66.92 -47.73 70.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.341 179.175 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.4 ' HB1' ' HB3' ' A' ' 21' ' ' LEU . . . -59.48 -35.12 73.5 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.85 -0.614 . . . . 0.0 111.551 -179.855 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.737 HG23 ' O ' ' A' ' 13' ' ' TYR . 35.7 p -70.24 -32.45 70.31 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.904 0.383 . . . . 0.0 110.41 179.691 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -78.2 -44.59 25.31 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.959 -0.564 . . . . 0.0 111.581 -179.86 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 19' ' ' MET . . . . . 0.875 ' CE ' HD12 ' A' ' 21' ' ' LEU . 3.9 ptt? -83.61 -16.02 46.8 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 112.185 0.439 . . . . 0.0 112.185 -179.396 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 9.9 m-80 75.16 36.05 0.55 Allowed 'General case' 0 N--CA 1.464 0.241 0 CA-C-O 121.154 0.502 . . . . 0.0 110.033 -178.986 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.875 HD12 ' CE ' ' A' ' 19' ' ' MET . 2.9 tt -55.36 160.03 2.46 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.533 -0.758 . . . . 0.0 110.622 -179.995 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 22' ' ' ASN . . . . . 0.801 ' N ' HD23 ' A' ' 21' ' ' LEU . 52.8 t30 -42.93 133.58 3.62 Favored 'General case' 0 N--CA 1.469 0.479 0 CA-C-O 120.948 0.404 . . . . 0.0 112.062 -179.788 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 13.4 tpp180 -55.08 -24.98 28.17 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.854 -179.375 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 17.2 m-20 -68.45 -35.98 78.36 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.709 0.29 . . . . 0.0 111.047 -179.72 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 25' ' ' PHE . . . . . 0.683 ' HB3' HD22 ' A' ' 21' ' ' LEU . 2.4 t80 -75.38 -41.78 55.51 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 109.464 -0.569 . . . . 0.0 109.464 179.18 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 57.1 mt -61.66 -44.56 98.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 115.62 -0.718 . . . . 0.0 109.846 178.775 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 5.3 tt0 -72.53 -33.4 66.84 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.21 179.37 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.566 HD23 ' N ' ' A' ' 29' ' ' ILE . 0.8 OUTLIER -67.13 -46.15 74.98 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.745 -0.662 . . . . 0.0 110.148 179.474 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.662 HD11 ' CD2' ' A' ' 25' ' ' PHE . 5.8 mt -69.16 -32.41 53.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-O 120.943 0.402 . . . . 0.0 110.143 179.144 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.413 ' HB2' ' CE1' ' A' ' 13' ' ' TYR . 3.3 tt0 -76.81 -32.68 57.78 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.378 179.2 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 4.7 m-20 -69.06 -30.95 69.39 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.862 179.967 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 15.5 tp10 -79.88 -45.23 19.01 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 109.415 -0.587 . . . . 0.0 109.415 179.157 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.631 HG23 ' HB3' ' A' ' 38' ' ' LEU . 71.0 mt -63.99 -35.16 72.58 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-N 115.381 -0.827 . . . . 0.0 109.445 178.565 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 20.6 mttt -66.35 -47.2 74.2 Favored 'General case' 0 N--CA 1.453 -0.311 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.052 179.607 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.02 -25.01 62.48 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.669 179.18 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -80.92 3.09 23.96 Favored 'General case' 0 CA--C 1.532 0.266 0 CA-C-N 116.344 -0.389 . . . . 0.0 112.001 179.896 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 9.0 t 61.6 33.55 18.19 Favored 'General case' 0 CA--C 1.523 -0.074 0 CA-C-O 121.062 0.458 . . . . 0.0 110.333 -179.619 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.802 ' O ' HG22 ' A' ' 41' ' ' ILE . 8.2 tp -123.15 18.95 9.95 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.722 -0.672 . . . . 0.0 111.084 -179.663 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -60.22 -29.54 68.85 Favored Glycine 0 C--N 1.336 0.528 0 C-N-CA 120.619 -0.8 . . . . 0.0 111.741 179.22 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 3.1 p-80 -57.84 -28.31 63.99 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.872 0.368 . . . . 0.0 110.521 179.193 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.802 HG22 ' O ' ' A' ' 38' ' ' LEU . 5.9 tp . . . . . 0 CA--C 1.534 0.36 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.334 179.645 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.456 -0.133 0 CA-C-O 120.809 0.337 . . . . 0.0 110.425 . . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -81.77 -33.69 30.78 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.599 179.472 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.526 HD21 HG13 ' A' ' 33' ' ' ILE . 11.6 tp -75.27 -45.31 40.78 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.736 -0.665 . . . . 0.0 110.62 179.77 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.793 HD11 ' CD2' ' A' ' 38' ' ' LEU . 54.7 mt -70.29 -34.06 56.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.339 179.881 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 16.5 mm-40 -62.64 -28.51 69.96 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.17 178.627 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 3.7 m -73.26 -46.84 47.64 Favored 'General case' 0 C--N 1.331 -0.198 0 N-CA-C 109.669 -0.493 . . . . 0.0 109.669 179.182 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.771 ' O ' HG23 ' A' ' 17' ' ' THR . 58.1 t80 -63.51 -38.3 90.59 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.815 -0.63 . . . . 0.0 109.831 178.899 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 14' ' ' PHE . . . . . 0.456 ' CE1' HG23 ' A' ' 10' ' ' ILE . 6.0 m-30 -73.06 -46.34 52.26 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.574 -0.739 . . . . 0.0 110.335 179.736 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 10.3 mmtt -64.91 -43.61 92.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.844 -0.617 . . . . 0.0 110.496 179.369 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.546 ' HB1' ' HB3' ' A' ' 21' ' ' LEU . . . -63.04 -37.0 85.45 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.805 -0.634 . . . . 0.0 111.595 -179.626 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.771 HG23 ' O ' ' A' ' 13' ' ' TYR . 39.5 p -67.78 -32.48 73.09 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.904 0.383 . . . . 0.0 110.359 179.707 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -75.07 -46.59 33.71 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.483 -179.874 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 19' ' ' MET . . . . . 0.773 ' CE ' HD12 ' A' ' 21' ' ' LEU . 3.8 ptt? -82.4 -14.73 54.72 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.161 -0.472 . . . . 0.0 112.175 -179.461 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 4.3 m120 74.98 39.06 0.41 Allowed 'General case' 0 N--CA 1.463 0.184 0 CA-C-O 121.165 0.507 . . . . 0.0 110.002 -178.885 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.821 HD23 ' N ' ' A' ' 22' ' ' ASN . 3.2 tt -56.61 158.0 4.85 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.513 -0.767 . . . . 0.0 110.608 -179.855 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 22' ' ' ASN . . . . . 0.821 ' N ' HD23 ' A' ' 21' ' ' LEU . 19.1 t-20 -42.88 133.5 3.61 Favored 'General case' 0 N--CA 1.469 0.523 0 CA-C-O 120.939 0.4 . . . . 0.0 112.038 -179.837 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -54.64 -27.77 42.12 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.949 -0.569 . . . . 0.0 111.798 -179.419 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 1.2 t0 -66.24 -37.97 86.77 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 120.702 0.286 . . . . 0.0 111.005 -179.602 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 25' ' ' PHE . . . . . 0.769 ' HB3' HD22 ' A' ' 21' ' ' LEU . 2.6 t80 -74.83 -40.6 60.96 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 109.317 -0.623 . . . . 0.0 109.317 179.161 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 58.4 mt -62.58 -46.03 97.37 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-N 115.549 -0.751 . . . . 0.0 109.808 178.82 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 4.6 tt0 -70.83 -32.75 69.9 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.23 179.425 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.578 HD23 ' N ' ' A' ' 29' ' ' ILE . 0.7 OUTLIER -67.69 -46.68 71.6 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.059 179.524 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.666 HD11 ' CD2' ' A' ' 25' ' ' PHE . 6.0 mt -69.44 -32.29 52.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.012 179.161 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.407 ' HB2' ' CE1' ' A' ' 13' ' ' TYR . 5.8 tt0 -76.51 -32.82 58.51 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.186 179.189 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 7.9 m-20 -69.06 -29.26 67.35 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.912 179.684 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 3.9 tp10 -80.26 -44.56 19.44 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 109.573 -0.528 . . . . 0.0 109.573 179.152 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.668 HG23 ' HB3' ' A' ' 38' ' ' LEU . 49.0 mt -64.4 -33.56 63.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-N 115.371 -0.832 . . . . 0.0 109.575 178.768 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 10.7 mttt -69.26 -47.54 64.35 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.177 179.475 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -71.0 -24.92 62.47 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.671 179.102 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 55.3 mtt180 -81.02 3.76 21.98 Favored 'General case' 0 CA--C 1.533 0.318 0 CA-C-N 116.25 -0.432 . . . . 0.0 112.044 179.961 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 3.3 t 61.48 33.81 18.36 Favored 'General case' 0 C--O 1.232 0.146 0 CA-C-O 121.11 0.481 . . . . 0.0 110.31 -179.585 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.808 ' O ' HG22 ' A' ' 41' ' ' ILE . 8.8 tp -121.98 23.98 9.76 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.789 -179.568 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -64.61 -22.06 67.59 Favored Glycine 0 C--N 1.335 0.514 0 C-N-CA 120.89 -0.672 . . . . 0.0 112.405 179.585 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 18.3 p-80 -67.45 -30.32 70.02 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.887 0.375 . . . . 0.0 110.228 179.497 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.808 HG22 ' O ' ' A' ' 38' ' ' LEU . 6.0 tp . . . . . 0 CA--C 1.534 0.363 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.302 179.76 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 . . . . . 0 N--CA 1.455 -0.212 0 CA-C-O 121.008 0.433 . . . . 0.0 110.18 . . . . . . . . . 0 0 . 1 . 024 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -81.71 -33.6 31.06 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.398 179.199 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.533 HD21 HG13 ' A' ' 33' ' ' ILE . 18.1 tp -75.06 -47.02 30.94 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.694 -0.685 . . . . 0.0 110.567 179.712 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.753 HD13 HG12 ' A' ' 41' ' ' ILE . 60.9 mt -68.55 -35.67 71.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.572 -179.935 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 33.1 mt-10 -62.3 -28.58 69.83 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.182 178.625 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 12' ' ' SER . . . . . 0.589 ' HB3' HD13 ' A' ' 29' ' ' ILE . 0.4 OUTLIER -72.39 -46.43 55.27 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.216 -0.447 . . . . 0.0 109.801 179.391 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.843 ' O ' HG23 ' A' ' 17' ' ' THR . 76.2 t80 -63.2 -38.67 92.08 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.808 -0.633 . . . . 0.0 109.758 178.86 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 14' ' ' PHE . . . . . 0.453 ' CZ ' ' CG2' ' A' ' 10' ' ' ILE . 6.8 m-30 -72.21 -47.71 48.51 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.493 -0.776 . . . . 0.0 110.448 179.723 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 27.7 mtmt -64.23 -42.97 96.31 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.403 179.287 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -60.49 -37.03 79.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.893 -0.594 . . . . 0.0 111.613 -179.753 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.843 HG23 ' O ' ' A' ' 13' ' ' TYR . 82.1 p -69.35 -32.48 71.58 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.956 0.408 . . . . 0.0 110.268 179.508 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -76.31 -46.09 29.34 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.501 -179.956 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 19' ' ' MET . . . . . 0.807 ' CE ' HD12 ' A' ' 21' ' ' LEU . 3.7 ptt? -83.58 -13.94 53.22 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.177 -0.465 . . . . 0.0 112.211 -179.405 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 3.1 m120 72.63 39.13 0.72 Allowed 'General case' 0 C--N 1.332 -0.164 0 CA-C-O 121.133 0.492 . . . . 0.0 110.14 -178.945 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.813 HD23 ' N ' ' A' ' 22' ' ' ASN . 3.1 tt -57.64 157.94 6.59 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.565 -0.743 . . . . 0.0 110.487 -179.919 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 22' ' ' ASN . . . . . 0.813 ' N ' HD23 ' A' ' 21' ' ' LEU . 10.4 t-20 -42.44 137.26 2.13 Favored 'General case' 0 N--CA 1.47 0.571 0 N-CA-C 112.197 0.443 . . . . 0.0 112.197 -179.791 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 1.5 ttm180 -57.01 -29.79 63.63 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.641 -179.424 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -64.94 -35.59 81.67 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.815 0.34 . . . . 0.0 110.86 -179.777 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 25' ' ' PHE . . . . . 0.773 ' HB3' HD22 ' A' ' 21' ' ' LEU . 2.9 t80 -75.25 -43.99 48.41 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 109.301 -0.629 . . . . 0.0 109.301 179.137 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 60.6 mt -60.99 -43.23 95.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 115.545 -0.752 . . . . 0.0 110.088 178.863 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -74.11 -33.49 63.6 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.198 179.454 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.573 HD23 ' N ' ' A' ' 29' ' ' ILE . 0.8 OUTLIER -66.83 -46.44 75.13 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.804 -0.634 . . . . 0.0 110.013 179.47 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.602 HD11 ' CD2' ' A' ' 25' ' ' PHE . 14.5 mt -69.24 -32.31 53.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.029 179.201 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -76.55 -32.73 58.37 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.26 179.194 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 52.4 m-20 -69.74 -29.65 67.06 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.912 179.761 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 16.4 tp10 -80.21 -46.15 16.81 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 109.378 -0.601 . . . . 0.0 109.378 179.229 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.595 HG23 ' HB3' ' A' ' 38' ' ' LEU . 67.0 mt -63.98 -33.54 62.84 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-N 115.423 -0.808 . . . . 0.0 109.559 178.587 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 8.5 mttt -68.99 -47.8 64.66 Favored 'General case' 0 N--CA 1.454 -0.247 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.212 179.397 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -70.93 -24.48 62.46 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.555 179.104 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 1.1 mmp_? -80.88 3.18 23.54 Favored 'General case' 0 CA--C 1.534 0.36 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.843 179.815 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 37.9 t 61.1 33.6 19.41 Favored 'General case' 0 C--O 1.23 0.04 0 CA-C-O 121.088 0.47 . . . . 0.0 110.249 -179.431 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.784 ' O ' HG22 ' A' ' 41' ' ' ILE . 10.1 tp -123.19 15.98 9.86 Favored 'General case' 0 CA--C 1.532 0.288 0 CA-C-N 115.706 -0.679 . . . . 0.0 111.381 -179.386 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -58.2 -26.14 58.32 Favored Glycine 0 C--N 1.336 0.554 0 C-N-CA 120.579 -0.819 . . . . 0.0 112.097 179.539 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 40' ' ' HIS . . . . . 0.41 ' NE2' HD12 ' A' ' 38' ' ' LEU . 3.4 p-80 -61.06 -30.62 70.44 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.921 0.391 . . . . 0.0 110.168 179.219 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.784 HG22 ' O ' ' A' ' 38' ' ' LEU . 6.0 tp . . . . . 0 CA--C 1.533 0.314 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.214 179.512 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 . . . . . 0 N--CA 1.455 -0.208 0 CA-C-O 120.869 0.366 . . . . 0.0 110.318 . . . . . . . . . 0 0 . 1 . 025 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -81.81 -35.54 29.38 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.743 179.428 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.474 HD12 HG23 ' A' ' 29' ' ' ILE . 51.7 tp -75.17 -43.81 50.21 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.875 179.902 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.828 HD11 HD21 ' A' ' 38' ' ' LEU . 63.4 mt -69.38 -40.23 79.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-N 116.433 -0.349 . . . . 0.0 110.762 -179.805 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -60.8 -28.24 68.62 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 109.869 -0.419 . . . . 0.0 109.869 178.387 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 12' ' ' SER . . . . . 0.41 ' C ' HD13 ' A' ' 29' ' ' ILE . 69.6 m -70.59 -44.21 67.8 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-O 121.069 0.461 . . . . 0.0 109.972 179.407 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.4 ' N ' HG21 ' A' ' 29' ' ' ILE . 67.5 t80 -67.5 -39.64 85.19 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.017 179.232 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 14' ' ' PHE . . . . . 0.457 ' CZ ' ' CG2' ' A' ' 10' ' ' ILE . 7.7 m-30 -72.5 -39.69 67.43 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.408 -0.814 . . . . 0.0 110.73 179.963 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.432 ' HD2' ' N ' ' A' ' 15' ' ' LYS . 0.0 OUTLIER -65.43 -53.31 44.74 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.155 -0.475 . . . . 0.0 109.915 179.591 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.453 ' HB1' ' HB3' ' A' ' 21' ' ' LEU . . . -57.3 -34.24 68.51 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.625 -0.716 . . . . 0.0 111.817 -179.702 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 6.1 p -69.29 -32.62 71.89 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.887 0.375 . . . . 0.0 110.306 179.645 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 6.4 mt-10 -78.57 -46.56 19.12 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.292 179.848 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 19' ' ' MET . . . . . 0.855 ' CE ' HD12 ' A' ' 21' ' ' LEU . 3.0 ptt? -82.8 -9.15 59.47 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 112.379 0.511 . . . . 0.0 112.379 -179.64 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 36.0 m-20 66.5 40.85 3.36 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.065 0.459 . . . . 0.0 110.651 -178.999 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.855 HD12 ' CE ' ' A' ' 19' ' ' MET . 2.9 tt -59.36 159.7 7.62 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.2 179.629 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 22' ' ' ASN . . . . . 0.803 ' N ' HD23 ' A' ' 21' ' ' LEU . 6.1 t-20 -40.93 132.58 2.3 Favored 'General case' 0 N--CA 1.472 0.635 0 N-CA-C 112.298 0.481 . . . . 0.0 112.298 -179.743 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 5.6 tmm_? -53.99 -25.42 20.85 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.985 -0.552 . . . . 0.0 112.023 -179.344 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -69.47 -35.42 75.59 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.765 0.317 . . . . 0.0 110.913 -179.753 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 25' ' ' PHE . . . . . 0.687 ' CD2' HD11 ' A' ' 29' ' ' ILE . 4.2 t80 -74.0 -45.65 48.55 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 109.363 -0.606 . . . . 0.0 109.363 179.233 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 62.5 mt -59.07 -43.81 90.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 115.551 -0.75 . . . . 0.0 110.241 178.939 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 4.1 tt0 -72.85 -34.82 67.01 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.063 0.459 . . . . 0.0 110.295 179.615 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.633 HD23 ' N ' ' A' ' 29' ' ' ILE . 0.5 OUTLIER -65.13 -47.76 75.98 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.009 179.339 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.687 HD11 ' CD2' ' A' ' 25' ' ' PHE . 10.5 mt -67.11 -32.77 59.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.207 179.337 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -76.33 -31.92 58.41 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.294 179.445 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 3.9 m-20 -69.58 -28.96 66.42 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.037 179.815 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 16.0 tp10 -80.4 -44.63 19.03 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.212 0.529 . . . . 0.0 109.644 179.335 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.714 HG23 ' HB3' ' A' ' 38' ' ' LEU . 42.6 mt -64.51 -32.92 59.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-N 115.354 -0.839 . . . . 0.0 109.882 178.925 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 4.4 mtmt -68.91 -46.19 68.94 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.045 179.272 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 17.8 mtt180 -69.59 -25.18 63.84 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.57 179.066 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 9.7 mtt180 -82.93 6.47 18.49 Favored 'General case' 0 CA--C 1.534 0.331 0 CA-C-N 116.209 -0.45 . . . . 0.0 112.209 -179.906 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 5.3 t 60.14 32.89 21.09 Favored 'General case' 0 C--O 1.232 0.141 0 CA-C-O 120.968 0.414 . . . . 0.0 110.456 -179.74 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.828 HD21 HD11 ' A' ' 10' ' ' ILE . 8.3 tp -121.11 28.04 8.08 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.618 -179.615 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -72.06 -6.29 64.02 Favored Glycine 0 C--N 1.335 0.49 0 C-N-CA 121.043 -0.599 . . . . 0.0 112.877 179.52 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 23.7 p80 -85.04 -32.31 22.97 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 117.304 0.552 . . . . 0.0 109.609 178.899 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.702 HG22 ' O ' ' A' ' 38' ' ' LEU . 6.1 tp . . . . . 0 CA--C 1.532 0.279 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.046 179.106 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.488 1.426 0 CA-C-O 120.869 0.366 . . . . 0.0 111.17 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 27.0 mtp180 -81.89 -50.96 8.58 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.848 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 14.0 mttm -127.04 124.08 38.48 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.863 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.588 HD13 ' HB2' ' A' ' 9' ' ' LEU . 0.2 OUTLIER -173.64 147.37 1.4 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.888 -179.968 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.706 ' OG ' HD13 ' A' ' 8' ' ' LEU . 2.2 p -64.48 150.19 47.08 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.675 179.753 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 6' ' ' ASP . . . . . 0.524 ' O ' HD12 ' A' ' 10' ' ' ILE . 0.3 OUTLIER -61.82 -31.03 71.24 Favored 'General case' 0 C--N 1.331 -0.224 0 N-CA-C 109.792 -0.447 . . . . 0.0 109.792 179.401 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -64.99 -40.05 94.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.472 179.594 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.706 HD13 ' OG ' ' A' ' 5' ' ' SER . 4.7 mp -81.0 -40.17 24.71 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.543 179.215 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.588 ' HB2' HD13 ' A' ' 4' ' ' LEU . 23.7 tp -62.78 -42.75 99.84 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.224 0.535 . . . . 0.0 109.68 179.005 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.866 HD11 HD21 ' A' ' 38' ' ' LEU . 32.0 mt -74.51 -34.16 34.82 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.554 0 CA-C-N 115.605 -0.725 . . . . 0.0 109.797 178.973 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.406 ' HB2' ' HA ' ' A' ' 8' ' ' LEU . 8.6 mm-40 -62.5 -28.8 70.09 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.865 -0.607 . . . . 0.0 109.831 178.327 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 1.3 t -73.16 -46.53 50.35 Favored 'General case' 0 N--CA 1.455 -0.219 0 N-CA-C 109.435 -0.58 . . . . 0.0 109.435 179.003 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.876 ' O ' HG23 ' A' ' 17' ' ' THR . 74.6 t80 -63.65 -40.11 96.04 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.778 -0.646 . . . . 0.0 109.929 178.778 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.459 ' CZ ' ' CG2' ' A' ' 10' ' ' ILE . 5.6 m-30 -70.58 -47.6 59.4 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.543 -0.753 . . . . 0.0 110.438 179.783 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 36.0 mtmt -61.37 -44.58 96.93 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.586 179.499 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.579 ' HB1' ' HB3' ' A' ' 21' ' ' LEU . . . -60.25 -37.27 79.86 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.85 -0.614 . . . . 0.0 111.771 -179.483 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.876 HG23 ' O ' ' A' ' 13' ' ' TYR . 68.2 p -68.24 -32.48 72.69 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.886 0.374 . . . . 0.0 110.546 179.865 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -75.5 -44.26 44.73 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.45 -179.908 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' MET . . . . . 0.759 ' CE ' HD12 ' A' ' 21' ' ' LEU . 3.5 ptt? -84.39 -14.68 48.74 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 112.177 0.436 . . . . 0.0 112.177 -179.491 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 10.3 m-80 75.95 38.15 0.36 Allowed 'General case' 0 N--CA 1.465 0.3 0 CA-C-O 121.098 0.475 . . . . 0.0 110.142 -179.019 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.826 HD23 ' N ' ' A' ' 22' ' ' ASN . 3.3 tt -57.6 156.13 8.76 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.615 -0.72 . . . . 0.0 110.516 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' ASN . . . . . 0.826 ' N ' HD23 ' A' ' 21' ' ' LEU . 9.8 t-20 -42.8 138.69 1.88 Allowed 'General case' 0 N--CA 1.47 0.529 0 N-CA-C 112.221 0.452 . . . . 0.0 112.221 -179.619 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 7.5 ttm180 -58.15 -28.92 65.15 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.88 -0.6 . . . . 0.0 111.609 -179.502 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -64.49 -38.85 92.45 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.567 -0.288 . . . . 0.0 111.055 -179.709 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' PHE . . . . . 0.803 ' CD2' HD11 ' A' ' 29' ' ' ILE . 3.7 t80 -73.83 -42.5 60.79 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 109.395 -0.595 . . . . 0.0 109.395 179.088 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 69.4 mt -60.41 -43.41 93.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 115.427 -0.806 . . . . 0.0 110.01 178.823 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -75.02 -34.7 61.93 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.258 179.536 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.581 HD23 ' N ' ' A' ' 29' ' ' ILE . 0.9 OUTLIER -65.33 -47.59 75.98 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.827 -0.624 . . . . 0.0 109.997 179.483 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.803 HD11 ' CD2' ' A' ' 25' ' ' PHE . 9.8 mt -67.85 -31.98 54.5 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.085 179.376 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.418 ' HB2' ' CE1' ' A' ' 13' ' ' TYR . 1.4 tm-20 -76.71 -33.23 58.2 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.311 179.196 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 3.3 m-20 -67.59 -30.05 69.56 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.976 -0.556 . . . . 0.0 111.056 179.825 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 2.5 tp10 -80.26 -45.32 18.14 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 109.459 -0.571 . . . . 0.0 109.459 179.167 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.713 HG23 ' HB3' ' A' ' 38' ' ' LEU . 51.1 mt -64.58 -31.93 55.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-N 115.319 -0.855 . . . . 0.0 109.692 178.565 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 7.1 mmtt -70.34 -47.95 58.66 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.254 179.464 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 3.1 ttm-85 -69.54 -23.09 63.54 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.608 178.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 16.5 mtp180 -83.45 6.37 20.47 Favored 'General case' 0 CA--C 1.535 0.366 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.979 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 5.0 t 61.02 34.06 19.45 Favored 'General case' 0 C--O 1.229 0.026 0 CA-C-O 121.076 0.465 . . . . 0.0 110.478 -179.721 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.866 HD21 HD11 ' A' ' 10' ' ' ILE . 8.1 tp -123.02 26.04 8.28 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.667 -0.697 . . . . 0.0 110.755 -179.579 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -71.03 -7.67 62.98 Favored Glycine 0 C--N 1.336 0.539 0 C-N-CA 120.94 -0.648 . . . . 0.0 112.835 179.687 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 2.8 p-80 -82.79 -31.47 28.21 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 117.256 0.528 . . . . 0.0 109.641 178.784 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.747 HG12 HD13 ' A' ' 10' ' ' ILE . 6.5 tp -61.2 -33.97 58.55 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.279 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.039 179.05 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.799 HD12 HG21 ' A' ' 44' ' ' VAL . 13.9 pt -81.48 165.88 2.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 115.216 -0.902 . . . . 0.0 110.688 179.775 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 15.5 t -82.71 58.68 4.37 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.21 0.529 . . . . 0.0 110.067 179.331 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.799 HG21 HD12 ' A' ' 42' ' ' ILE . 33.2 t -123.02 160.57 25.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 115.632 -0.713 . . . . 0.0 111.149 -179.096 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 45' ' ' SER . . . . . 0.469 ' N ' HG12 ' A' ' 44' ' ' VAL . 31.0 t -107.77 89.45 3.0 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.959 0.409 . . . . 0.0 110.544 179.412 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.248 1.024 0 CA-C-O 118.219 -0.896 . . . . 0.0 110.888 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.602 ' HE3' HD21 ' A' ' 28' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.361 0 CA-C-O 120.905 0.383 . . . . 0.0 111.147 . . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 6.1 mtt180 -82.43 -51.13 8.13 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.932 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -176.1 135.71 0.28 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.832 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.67 HD13 ' HB2' ' A' ' 9' ' ' LEU . 0.2 OUTLIER -176.99 148.27 0.63 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.929 -179.822 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 44.9 t -69.97 163.77 25.35 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.668 179.785 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' ASP . . . . . 0.467 ' O ' HD12 ' A' ' 10' ' ' ILE . 0.4 OUTLIER -58.3 -24.37 59.37 Favored 'General case' 0 N--CA 1.465 0.31 0 CA-C-N 116.468 -0.333 . . . . 0.0 110.234 179.363 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -73.4 -37.4 65.97 Favored 'General case' 0 N--CA 1.454 -0.228 0 CA-C-O 120.935 0.398 . . . . 0.0 110.021 179.387 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -80.72 -33.61 35.11 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.434 179.141 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.67 ' HB2' HD13 ' A' ' 4' ' ' LEU . 18.2 tp -74.04 -47.07 39.3 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.532 179.658 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.78 HD11 HD21 ' A' ' 38' ' ' LEU . 51.7 mt -68.38 -35.07 69.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.521 179.901 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 15.5 mt-10 -62.04 -28.41 69.57 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.118 178.658 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' SER . . . . . 0.435 ' HB3' HD13 ' A' ' 29' ' ' ILE . 1.1 t -73.19 -45.28 57.25 Favored 'General case' 0 CA--C 1.52 -0.183 0 N-CA-C 109.708 -0.478 . . . . 0.0 109.708 179.285 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.681 ' O ' HG23 ' A' ' 17' ' ' THR . 71.4 t80 -64.67 -38.0 89.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.842 -0.617 . . . . 0.0 109.807 178.973 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.457 ' CZ ' ' CG2' ' A' ' 10' ' ' ILE . 13.2 m-30 -73.54 -45.57 52.78 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.519 -0.764 . . . . 0.0 110.516 179.693 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 6.6 mmtt -65.29 -44.98 86.24 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.583 179.48 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.586 ' HB1' ' HB3' ' A' ' 21' ' ' LEU . . . -64.32 -35.98 82.62 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.667 -179.653 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.681 HG23 ' O ' ' A' ' 13' ' ' TYR . 20.4 p -67.34 -32.59 73.64 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.991 0.424 . . . . 0.0 110.51 179.72 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -75.82 -47.12 26.99 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.486 -179.742 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' MET . . . . . 0.778 ' CE ' HD12 ' A' ' 21' ' ' LEU . 3.6 ptt? -81.4 -14.04 57.61 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.195 -0.457 . . . . 0.0 112.175 -179.555 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 22.2 m-20 74.67 38.15 0.5 Allowed 'General case' 0 N--CA 1.463 0.191 0 CA-C-O 121.14 0.495 . . . . 0.0 110.012 -179.076 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.824 HD23 ' N ' ' A' ' 22' ' ' ASN . 3.2 tt -55.85 157.91 4.04 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.591 -0.731 . . . . 0.0 110.523 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 22' ' ' ASN . . . . . 0.824 ' N ' HD23 ' A' ' 21' ' ' LEU . 47.7 t30 -41.66 133.81 2.6 Favored 'General case' 0 N--CA 1.471 0.622 0 N-CA-C 112.141 0.423 . . . . 0.0 112.141 -179.774 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -54.56 -29.03 49.88 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.86 -179.326 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -66.15 -36.16 82.38 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.765 0.317 . . . . 0.0 110.917 -179.796 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' PHE . . . . . 0.769 ' HB3' HD22 ' A' ' 21' ' ' LEU . 2.6 t80 -74.63 -42.56 58.36 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 109.206 -0.665 . . . . 0.0 109.206 179.065 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 56.0 mt -61.93 -47.52 92.84 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 115.454 -0.794 . . . . 0.0 109.993 178.825 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -69.81 -32.21 70.53 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.359 179.651 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.602 HD21 ' HE3' ' A' ' 1' ' ' MET . 0.8 OUTLIER -67.84 -47.2 69.64 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.007 179.5 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.59 ' N ' HD23 ' A' ' 28' ' ' LEU . 12.5 mt -68.95 -32.45 54.59 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.02 179.161 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 6.9 tt0 -76.61 -32.72 58.24 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.193 179.266 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 5.1 m-20 -69.4 -28.89 66.55 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.997 179.899 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 8.6 tp10 -80.6 -45.1 17.87 Favored 'General case' 0 C--N 1.33 -0.273 0 N-CA-C 109.574 -0.528 . . . . 0.0 109.574 179.21 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.721 HG23 ' HB3' ' A' ' 38' ' ' LEU . 45.5 mt -64.55 -32.21 56.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-N 115.337 -0.847 . . . . 0.0 109.759 178.721 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 36.6 mttt -69.62 -47.1 64.62 Favored 'General case' 0 N--CA 1.456 -0.172 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.075 179.385 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 3.3 tpp180 -70.85 -24.29 62.49 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.954 -0.567 . . . . 0.0 110.768 179.166 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 5.3 mtp180 -81.96 4.76 21.44 Favored 'General case' 0 CA--C 1.534 0.349 0 CA-C-N 116.287 -0.415 . . . . 0.0 112.038 179.899 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 2.8 t 61.32 34.48 18.48 Favored 'General case' 0 C--O 1.23 0.065 0 CA-C-O 121.14 0.495 . . . . 0.0 110.328 -179.663 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.78 HD21 HD11 ' A' ' 10' ' ' ILE . 8.6 tp -123.08 27.06 7.79 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.538 -0.756 . . . . 0.0 110.547 -179.549 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -70.83 -7.33 61.63 Favored Glycine 0 C--N 1.336 0.533 0 C-N-CA 121.0 -0.619 . . . . 0.0 113.067 179.803 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 21.4 p80 -83.88 -32.24 25.28 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 117.348 0.574 . . . . 0.0 109.497 178.8 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.746 HG22 ' O ' ' A' ' 38' ' ' LEU . 6.2 tp -59.66 -32.86 50.25 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.325 0 CA-C-N 115.804 -0.635 . . . . 0.0 109.829 178.798 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.863 HD12 HG21 ' A' ' 44' ' ' VAL . 15.9 pt -84.76 158.76 3.47 Favored 'Isoleucine or valine' 0 C--O 1.232 0.172 0 CA-C-N 115.036 -0.984 . . . . 0.0 110.799 179.733 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 13.2 t -79.81 61.58 3.79 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.153 0.502 . . . . 0.0 110.128 179.472 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.863 HG21 HD12 ' A' ' 42' ' ' ILE . 24.7 t -122.86 160.13 25.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 115.791 -0.641 . . . . 0.0 111.324 -179.182 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 45' ' ' SER . . . . . 0.474 ' N ' HG12 ' A' ' 44' ' ' VAL . 94.0 p -116.12 89.75 3.18 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.489 179.559 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.6 t . . . . . 0 C--O 1.25 1.084 0 CA-C-O 118.192 -0.909 . . . . 0.0 110.949 -179.99 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.486 1.35 0 CA-C-O 120.824 0.345 . . . . 0.0 111.203 . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 16.0 mmt180 -67.49 -51.01 56.31 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.914 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' LYS . . . . . 0.688 ' O ' HD23 ' A' ' 4' ' ' LEU . 30.7 tptt -166.49 110.01 0.75 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.805 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.688 HD23 ' O ' ' A' ' 3' ' ' LYS . 7.7 mt -134.8 150.01 50.46 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.033 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -60.62 153.23 24.3 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.595 179.604 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 6' ' ' ASP . . . . . 0.587 ' O ' HD12 ' A' ' 10' ' ' ILE . 0.6 OUTLIER -60.29 -30.27 69.37 Favored 'General case' 0 N--CA 1.465 0.278 0 N-CA-C 109.795 -0.446 . . . . 0.0 109.795 179.421 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -65.72 -41.84 91.8 Favored 'General case' 0 N--CA 1.453 -0.321 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.257 179.54 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 5.4 mp -80.39 -37.5 32.15 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.233 179.078 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 14.0 tp -63.43 -44.52 94.33 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.958 -0.565 . . . . 0.0 109.574 178.96 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.856 HD11 ' CD2' ' A' ' 38' ' ' LEU . 23.5 mt -72.49 -34.88 49.69 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.525 0 CA-C-N 115.621 -0.718 . . . . 0.0 109.858 179.162 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -61.38 -28.36 69.18 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.084 -0.507 . . . . 0.0 109.822 178.206 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 5.9 m -73.21 -47.07 46.61 Favored 'General case' 0 N--CA 1.455 -0.185 0 N-CA-C 109.463 -0.569 . . . . 0.0 109.463 179.122 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.636 ' O ' HG23 ' A' ' 17' ' ' THR . 75.3 t80 -62.87 -38.73 92.04 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.792 -0.64 . . . . 0.0 109.948 178.847 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.456 ' CZ ' ' CG2' ' A' ' 10' ' ' ILE . 6.2 m-30 -72.39 -46.18 56.38 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.596 -0.729 . . . . 0.0 110.282 179.702 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.59 -42.47 95.56 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.881 -0.599 . . . . 0.0 110.589 179.305 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.593 ' HB1' ' HB3' ' A' ' 21' ' ' LEU . . . -65.76 -38.28 88.64 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.013 -0.539 . . . . 0.0 111.548 -179.662 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.636 HG23 ' O ' ' A' ' 13' ' ' TYR . 20.8 p -65.0 -32.63 74.45 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.876 0.369 . . . . 0.0 110.501 179.81 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 5.6 mt-10 -75.04 -48.06 25.87 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.631 -179.734 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' MET . . . . . 0.693 ' CE ' HD12 ' A' ' 21' ' ' LEU . 4.5 ptp -80.43 -14.43 58.3 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 112.38 0.511 . . . . 0.0 112.38 -179.266 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 4.9 m120 75.69 38.26 0.38 Allowed 'General case' 0 N--CA 1.465 0.28 0 CA-C-O 121.197 0.523 . . . . 0.0 109.978 -178.913 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.815 HD22 ' HB3' ' A' ' 25' ' ' PHE . 2.8 tt -55.05 158.77 2.71 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 115.479 -0.782 . . . . 0.0 110.66 -179.922 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 22' ' ' ASN . . . . . 0.806 ' N ' HD23 ' A' ' 21' ' ' LEU . 9.7 t-20 -41.79 133.67 2.74 Favored 'General case' 0 N--CA 1.47 0.572 0 N-CA-C 112.208 0.447 . . . . 0.0 112.208 -179.739 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 2.5 tpt180 -54.75 -31.36 58.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.916 -179.293 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -67.17 -33.52 75.57 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.747 0.308 . . . . 0.0 111.07 -179.639 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' PHE . . . . . 0.874 ' CD2' HD11 ' A' ' 29' ' ' ILE . 7.5 t80 -75.99 -43.67 43.36 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 109.313 -0.625 . . . . 0.0 109.313 179.148 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 61.6 mt -61.09 -44.98 99.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 115.453 -0.794 . . . . 0.0 110.104 178.875 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 2.7 tp10 -72.17 -32.98 67.35 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.303 179.497 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.611 HD23 ' N ' ' A' ' 29' ' ' ILE . 0.6 OUTLIER -66.37 -47.77 72.31 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.053 179.44 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.874 HD11 ' CD2' ' A' ' 25' ' ' PHE . 9.9 mt -67.76 -32.21 55.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.097 179.179 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.409 ' HB2' ' CE1' ' A' ' 13' ' ' TYR . 3.5 tt0 -76.4 -33.55 58.85 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.253 179.341 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 48.0 m-20 -67.92 -29.24 68.27 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.891 -0.595 . . . . 0.0 111.105 179.818 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 1.7 tp10 -80.58 -44.82 18.35 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 109.561 -0.533 . . . . 0.0 109.561 179.29 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.713 HG23 ' HB3' ' A' ' 38' ' ' LEU . 46.4 mt -65.16 -32.0 56.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-N 115.366 -0.834 . . . . 0.0 109.823 178.76 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 22.6 mttt -71.25 -46.24 61.45 Favored 'General case' 0 N--CA 1.455 -0.186 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.065 179.307 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 13.1 mtt85 -70.83 -23.84 62.42 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.925 -0.579 . . . . 0.0 110.47 178.877 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 43.1 mtt180 -83.48 6.29 20.85 Favored 'General case' 0 CA--C 1.534 0.346 0 CA-C-N 116.363 -0.38 . . . . 0.0 112.005 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 6.3 t 60.66 34.53 20.06 Favored 'General case' 0 C--O 1.231 0.121 0 CA-C-O 121.08 0.467 . . . . 0.0 110.483 -179.734 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.856 ' CD2' HD11 ' A' ' 10' ' ' ILE . 8.3 tp -123.04 27.19 7.75 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.647 -0.706 . . . . 0.0 110.737 -179.515 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -70.88 -7.66 62.45 Favored Glycine 0 C--N 1.334 0.462 0 C-N-CA 121.073 -0.584 . . . . 0.0 112.988 179.695 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 22.5 p-80 -83.18 -31.48 27.1 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 117.371 0.585 . . . . 0.0 109.518 178.779 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.745 HG22 ' O ' ' A' ' 38' ' ' LEU . 6.3 tp -61.04 -33.55 56.36 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.268 0 CA-C-N 115.791 -0.64 . . . . 0.0 109.981 179.037 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.865 HD12 HG21 ' A' ' 44' ' ' VAL . 13.8 pt -82.36 155.27 3.97 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.186 0 CA-C-N 115.225 -0.898 . . . . 0.0 110.855 179.748 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 7.7 t -77.29 63.4 2.5 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.172 0.511 . . . . 0.0 110.153 179.409 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.865 HG21 HD12 ' A' ' 42' ' ' ILE . 26.1 t -122.76 151.42 26.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 115.737 -0.665 . . . . 0.0 111.259 -179.119 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 2.7 p -116.23 89.52 3.13 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.677 179.478 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 6.0 t . . . . . 0 C--O 1.25 1.123 0 CA-C-O 118.231 -0.89 . . . . 0.0 110.895 179.94 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.471 ' SD ' HD21 ' A' ' 28' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.363 0 CA-C-O 120.892 0.377 . . . . 0.0 111.139 . . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 36.6 mtm180 -83.08 -51.15 7.79 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.012 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 28.1 pttt -167.92 130.3 1.53 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.908 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.65 HD13 ' HB2' ' A' ' 9' ' ' LEU . 0.2 OUTLIER -177.74 147.31 0.48 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.06 -179.85 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.5 m -67.75 163.13 22.33 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.482 179.695 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' ASP . . . . . 0.516 ' O ' HD12 ' A' ' 10' ' ' ILE . 0.6 OUTLIER -59.35 -25.84 64.55 Favored 'General case' 0 N--CA 1.465 0.32 0 CA-C-O 120.818 0.342 . . . . 0.0 110.1 179.336 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -71.87 -37.32 70.22 Favored 'General case' 0 N--CA 1.455 -0.221 0 CA-C-O 121.044 0.45 . . . . 0.0 110.063 179.265 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -79.77 -33.86 40.27 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.543 -0.753 . . . . 0.0 110.423 179.25 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.65 ' HB2' HD13 ' A' ' 4' ' ' LEU . 15.8 tp -74.38 -47.2 35.54 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.702 -0.681 . . . . 0.0 110.573 179.737 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.782 HD13 HG12 ' A' ' 41' ' ' ILE . 33.5 mt -68.59 -33.88 62.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.499 179.798 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 12.1 mm-40 -62.25 -28.77 69.94 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.152 178.632 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -73.67 -45.65 51.21 Favored 'General case' 0 C--N 1.331 -0.201 0 N-CA-C 109.66 -0.496 . . . . 0.0 109.66 179.289 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.761 ' O ' HG23 ' A' ' 17' ' ' THR . 54.0 t80 -63.93 -36.53 84.26 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.809 -0.632 . . . . 0.0 109.711 178.962 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.459 ' CZ ' ' CG2' ' A' ' 10' ' ' ILE . 5.7 m-30 -74.57 -48.05 29.03 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.448 -0.796 . . . . 0.0 110.308 179.807 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 43.2 mtmt -64.06 -44.03 93.68 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.46 179.448 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.544 ' HB1' ' HB3' ' A' ' 21' ' ' LEU . . . -62.31 -37.73 86.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.875 -0.602 . . . . 0.0 111.601 -179.625 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.761 HG23 ' O ' ' A' ' 13' ' ' TYR . 35.1 p -66.6 -32.4 73.7 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.935 0.398 . . . . 0.0 110.298 179.587 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 10.3 mt-10 -74.75 -49.02 22.49 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 115.957 -0.565 . . . . 0.0 111.564 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' MET . . . . . 0.765 ' CE ' HD12 ' A' ' 21' ' ' LEU . 3.5 ptt? -80.25 -14.71 58.19 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 112.368 0.507 . . . . 0.0 112.368 -179.431 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 11.7 m120 75.08 39.73 0.38 Allowed 'General case' 0 N--CA 1.464 0.268 0 CA-C-O 121.193 0.521 . . . . 0.0 110.013 -178.885 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.81 HD23 ' N ' ' A' ' 22' ' ' ASN . 3.0 tt -56.46 157.97 4.71 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.626 -0.715 . . . . 0.0 110.532 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 22' ' ' ASN . . . . . 0.81 ' N ' HD23 ' A' ' 21' ' ' LEU . 54.0 t-20 -41.84 133.4 2.84 Favored 'General case' 0 N--CA 1.47 0.574 0 N-CA-C 112.16 0.43 . . . . 0.0 112.16 -179.747 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -54.95 -26.39 35.99 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.945 -0.57 . . . . 0.0 111.892 -179.378 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -69.7 -36.58 76.06 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.668 0.271 . . . . 0.0 111.022 -179.738 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 25' ' ' PHE . . . . . 0.803 ' HB3' HD22 ' A' ' 21' ' ' LEU . 2.5 t80 -74.66 -41.13 60.87 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 109.372 -0.603 . . . . 0.0 109.372 179.107 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 59.0 mt -62.02 -45.95 97.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 115.517 -0.765 . . . . 0.0 109.893 178.745 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -71.16 -33.6 70.17 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.163 179.458 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.574 HD23 ' N ' ' A' ' 29' ' ' ILE . 0.9 OUTLIER -66.57 -47.43 72.81 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.827 -0.624 . . . . 0.0 109.946 179.316 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.695 HD11 ' CD2' ' A' ' 25' ' ' PHE . 6.6 mt -67.96 -32.17 55.14 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.071 179.254 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.409 ' HB2' ' CE1' ' A' ' 13' ' ' TYR . 4.7 tt0 -76.31 -32.74 58.9 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.149 179.157 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 6.7 m120 -68.91 -28.13 66.4 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.801 -0.636 . . . . 0.0 111.1 179.743 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 2.7 tp10 -80.36 -45.69 17.32 Favored 'General case' 0 CA--C 1.519 -0.247 0 N-CA-C 109.56 -0.534 . . . . 0.0 109.56 179.269 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.671 HG23 ' HB3' ' A' ' 38' ' ' LEU . 65.3 mt -64.56 -31.8 55.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 CA-C-N 115.435 -0.802 . . . . 0.0 109.906 178.784 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 21.2 mttt -70.74 -46.67 62.57 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.2 -0.454 . . . . 0.0 109.864 179.299 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 21.4 mtm180 -70.93 -24.35 62.43 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.63 179.0 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 17.7 mtt-85 -81.92 4.43 22.57 Favored 'General case' 0 CA--C 1.534 0.344 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.873 179.904 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 3.5 t 61.31 33.97 18.73 Favored 'General case' 0 CA--C 1.523 -0.062 0 CA-C-O 121.119 0.485 . . . . 0.0 110.311 -179.572 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.775 ' CD2' HD11 ' A' ' 10' ' ' ILE . 9.8 tp -123.15 28.18 7.26 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.599 -0.728 . . . . 0.0 110.642 -179.361 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -69.65 -8.74 60.78 Favored Glycine 0 C--N 1.334 0.468 0 C-N-CA 120.989 -0.624 . . . . 0.0 113.044 179.765 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 2.9 p-80 -81.95 -31.71 31.13 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 117.379 0.589 . . . . 0.0 109.7 178.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.782 HG12 HD13 ' A' ' 10' ' ' ILE . 6.9 tp -61.03 -32.87 53.76 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.292 0 CA-C-N 115.749 -0.659 . . . . 0.0 110.116 178.867 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.854 HD12 HG21 ' A' ' 44' ' ' VAL . 14.4 pt -84.23 152.36 3.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 115.208 -0.906 . . . . 0.0 110.879 179.852 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 8.4 t -75.51 64.54 1.63 Allowed 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.105 0.479 . . . . 0.0 110.098 179.459 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.854 HG21 HD12 ' A' ' 42' ' ' ILE . 27.5 t -122.84 153.04 27.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 115.827 -0.624 . . . . 0.0 111.385 -179.1 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 76.2 p -116.99 89.6 3.15 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.52 179.372 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 2.7 p . . . . . 0 C--O 1.249 1.043 0 CA-C-O 118.133 -0.937 . . . . 0.0 110.945 -179.971 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.463 ' SD ' HD21 ' A' ' 28' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.362 0 CA-C-O 120.812 0.339 . . . . 0.0 111.016 . . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 6.7 mtt180 -83.01 -51.46 7.55 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.922 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' LYS . . . . . 0.751 ' O ' HD23 ' A' ' 4' ' ' LEU . 17.1 ttpt -178.25 100.6 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.804 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.751 HD23 ' O ' ' A' ' 3' ' ' LYS . 4.8 mt -140.08 144.75 36.97 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.35 -0.387 . . . . 0.0 110.922 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 8.2 m -67.17 165.11 16.68 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.497 179.56 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' ASP . . . . . 0.48 ' O ' HD12 ' A' ' 10' ' ' ILE . 0.3 OUTLIER -58.1 -24.58 59.16 Favored 'General case' 0 N--CA 1.466 0.37 0 CA-C-O 120.826 0.346 . . . . 0.0 110.195 179.338 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -74.79 -37.97 62.25 Favored 'General case' 0 N--CA 1.455 -0.208 0 CA-C-O 120.876 0.37 . . . . 0.0 110.244 179.512 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -81.99 -32.85 30.43 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.56 179.38 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.525 HD21 HG13 ' A' ' 33' ' ' ILE . 15.4 tp -75.2 -44.02 48.72 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.744 179.751 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.806 HD11 HD21 ' A' ' 38' ' ' LEU . 62.2 mt -69.75 -37.79 74.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.594 179.85 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -61.28 -27.82 68.74 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.044 178.628 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 69.0 m -71.92 -47.02 55.51 Favored 'General case' 0 CA--C 1.521 -0.156 0 N-CA-C 109.743 -0.465 . . . . 0.0 109.743 179.121 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.651 ' O ' HG23 ' A' ' 17' ' ' THR . 65.2 t80 -64.01 -38.43 91.05 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.049 179.045 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.466 ' CZ ' ' CG2' ' A' ' 10' ' ' ILE . 12.3 m-30 -72.87 -43.21 62.82 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.481 -0.781 . . . . 0.0 110.75 179.816 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 28.4 mtmt -65.21 -47.92 75.2 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.625 179.42 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.583 ' HB1' ' HB3' ' A' ' 21' ' ' LEU . . . -63.8 -33.76 76.4 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.95 -0.568 . . . . 0.0 111.784 -179.702 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.651 HG23 ' O ' ' A' ' 13' ' ' TYR . 14.9 p -68.06 -32.59 73.04 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.803 0.335 . . . . 0.0 110.465 179.807 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -76.84 -48.01 19.7 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.482 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' MET . . . . . 0.829 ' CE ' HD12 ' A' ' 21' ' ' LEU . 3.6 ptt? -80.08 -14.58 58.41 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.218 -0.446 . . . . 0.0 112.084 -179.59 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 12.5 m120 74.02 37.16 0.65 Allowed 'General case' 0 N--CA 1.463 0.201 0 CA-C-O 121.161 0.505 . . . . 0.0 110.141 -178.948 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.829 HD12 ' CE ' ' A' ' 19' ' ' MET . 2.8 tt -54.37 160.36 1.71 Allowed 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 115.588 -0.733 . . . . 0.0 110.541 179.88 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 22' ' ' ASN . . . . . 0.801 ' N ' HD23 ' A' ' 21' ' ' LEU . 10.4 t-20 -41.71 133.19 2.79 Favored 'General case' 0 N--CA 1.472 0.628 0 N-CA-C 112.079 0.399 . . . . 0.0 112.079 -179.674 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 6.1 tpp85 -54.5 -28.81 47.71 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.778 -179.36 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -66.55 -35.45 80.26 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 120.733 0.301 . . . . 0.0 110.998 -179.721 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 25' ' ' PHE . . . . . 0.674 ' HB3' HD22 ' A' ' 21' ' ' LEU . 2.4 t80 -74.64 -43.59 54.66 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 109.263 -0.643 . . . . 0.0 109.263 179.092 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 58.4 mt -61.99 -45.77 97.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 115.531 -0.758 . . . . 0.0 110.056 178.882 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -71.13 -32.8 69.43 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.426 179.623 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.591 HD23 ' N ' ' A' ' 29' ' ' ILE . 0.7 OUTLIER -67.45 -47.27 70.64 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.07 179.569 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.591 ' N ' HD23 ' A' ' 28' ' ' LEU . 10.4 mt -69.04 -32.35 53.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.107 179.197 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.407 ' HB2' ' CE1' ' A' ' 13' ' ' TYR . 5.8 tt0 -76.56 -32.87 58.45 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.343 179.171 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 49.8 m-20 -68.56 -29.56 68.13 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.815 -0.629 . . . . 0.0 110.982 179.904 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 8.9 tp10 -80.22 -45.8 17.39 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 109.542 -0.54 . . . . 0.0 109.542 179.139 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.741 HG23 ' HB3' ' A' ' 38' ' ' LEU . 47.1 mt -63.31 -32.18 55.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-N 115.358 -0.837 . . . . 0.0 109.76 178.793 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 22.0 mttt -69.64 -47.99 61.46 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.196 179.545 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 1.3 tmt_? -70.74 -24.26 62.59 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.811 179.143 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 30.5 mtt180 -81.39 3.92 22.71 Favored 'General case' 0 CA--C 1.534 0.342 0 N-CA-C 112.093 0.405 . . . . 0.0 112.093 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 3.7 t 62.23 34.71 15.87 Favored 'General case' 0 C--O 1.232 0.133 0 CA-C-O 121.063 0.458 . . . . 0.0 110.371 -179.757 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.806 HD21 HD11 ' A' ' 10' ' ' ILE . 7.8 tp -123.02 27.48 7.63 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.634 -0.712 . . . . 0.0 110.449 -179.707 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -71.22 -7.24 62.82 Favored Glycine 0 C--N 1.337 0.598 0 C-N-CA 121.017 -0.611 . . . . 0.0 113.015 179.891 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 8.9 p80 -84.53 -32.08 24.08 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 117.315 0.558 . . . . 0.0 109.581 178.932 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.724 HG22 ' O ' ' A' ' 38' ' ' LEU . 5.9 tp -60.9 -32.97 53.68 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.281 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.027 179.084 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.89 HD12 HG21 ' A' ' 44' ' ' VAL . 14.0 pt -81.67 155.34 4.12 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.19 0 CA-C-N 115.215 -0.902 . . . . 0.0 111.145 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 10.9 t -77.1 63.55 2.39 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.16 0.505 . . . . 0.0 110.141 179.302 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.89 HG21 HD12 ' A' ' 42' ' ' ILE . 38.4 t -122.69 146.29 28.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 115.699 -0.682 . . . . 0.0 111.22 -179.084 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -102.06 89.44 3.62 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.491 179.485 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 39.6 t . . . . . 0 C--O 1.251 1.134 0 CA-C-O 118.195 -0.907 . . . . 0.0 110.927 -179.977 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.48 ' HG2' HD13 ' A' ' 9' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.365 0 CA-C-O 120.8 0.333 . . . . 0.0 111.043 . . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 2.0 ttt180 -83.15 -51.2 7.71 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.095 -179.891 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' LYS . . . . . 0.589 ' O ' HD23 ' A' ' 4' ' ' LEU . 0.9 OUTLIER -178.22 93.92 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.009 179.988 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.589 HD23 ' O ' ' A' ' 3' ' ' LYS . 4.8 mt -133.74 145.39 49.79 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.764 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 64.7 m -60.19 162.15 6.23 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.577 179.641 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' ASP . . . . . 0.463 ' O ' HD12 ' A' ' 10' ' ' ILE . 1.0 OUTLIER -57.43 -25.94 60.39 Favored 'General case' 0 N--CA 1.464 0.275 0 CA-C-O 120.884 0.373 . . . . 0.0 110.316 179.523 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -73.18 -35.9 66.48 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.218 179.395 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -81.05 -35.21 32.09 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.665 179.363 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.524 HD21 HG13 ' A' ' 33' ' ' ILE . 14.9 tp -74.36 -44.59 51.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.777 179.828 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.825 HD11 HD21 ' A' ' 38' ' ' LEU . 51.6 mt -69.87 -35.46 64.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.551 179.87 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -62.1 -28.42 69.61 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.182 178.735 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -73.65 -45.82 50.38 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-O 121.016 0.436 . . . . 0.0 109.835 179.255 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.66 ' O ' HG23 ' A' ' 17' ' ' THR . 63.4 t80 -64.16 -38.19 90.18 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.871 -0.604 . . . . 0.0 109.776 178.786 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.451 ' CZ ' ' CG2' ' A' ' 10' ' ' ILE . 7.1 m-30 -73.2 -46.38 50.82 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.471 -0.786 . . . . 0.0 110.462 179.68 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 7.5 mmpt? -65.48 -45.64 82.87 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.817 -0.628 . . . . 0.0 110.499 179.361 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.483 ' HB1' ' HB3' ' A' ' 21' ' ' LEU . . . -63.07 -35.04 78.93 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.83 -0.623 . . . . 0.0 111.627 -179.579 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.66 HG23 ' O ' ' A' ' 13' ' ' TYR . 18.5 p -68.94 -32.59 72.3 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.958 0.409 . . . . 0.0 110.454 179.73 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -75.76 -46.17 32.31 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.456 -179.879 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' MET . . . . . 0.786 ' CE ' HD12 ' A' ' 21' ' ' LEU . 3.7 ptt? -82.54 -15.29 52.88 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 112.162 0.43 . . . . 0.0 112.162 -179.49 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 18.4 m-80 74.26 39.76 0.47 Allowed 'General case' 0 N--CA 1.463 0.196 0 CA-C-O 121.254 0.549 . . . . 0.0 109.934 -178.968 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.802 HD23 ' N ' ' A' ' 22' ' ' ASN . 2.7 tt -55.77 159.45 3.07 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 115.45 -0.795 . . . . 0.0 110.547 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 22' ' ' ASN . . . . . 0.802 ' N ' HD23 ' A' ' 21' ' ' LEU . 61.6 t30 -41.34 131.4 2.83 Favored 'General case' 0 N--CA 1.47 0.557 0 N-CA-C 112.158 0.429 . . . . 0.0 112.158 -179.859 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.43 -32.57 27.1 Favored 'General case' 0 N--CA 1.464 0.265 0 CA-C-N 115.909 -0.587 . . . . 0.0 112.099 -179.267 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 1.9 t0 -65.14 -35.78 82.18 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.584 -0.28 . . . . 0.0 111.304 -179.522 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' PHE . . . . . 0.725 ' HB3' HD22 ' A' ' 21' ' ' LEU . 2.5 t80 -74.68 -43.91 52.84 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 179.239 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 56.3 mt -61.31 -46.1 97.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 115.63 -0.714 . . . . 0.0 110.062 178.909 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -70.66 -33.14 70.64 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.077 0.465 . . . . 0.0 110.336 179.66 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.586 HD23 ' N ' ' A' ' 29' ' ' ILE . 0.8 OUTLIER -67.79 -46.67 71.31 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.0 179.439 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.652 HD11 ' CD2' ' A' ' 25' ' ' PHE . 6.1 mt -68.14 -32.95 58.15 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.108 179.178 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.408 ' HG3' ' CZ ' ' A' ' 13' ' ' TYR . 8.4 tt0 -76.49 -32.65 58.47 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.288 179.51 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 6.8 m120 -69.46 -28.88 66.48 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.94 -0.573 . . . . 0.0 111.152 179.883 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -80.5 -45.2 17.9 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.221 0.534 . . . . 0.0 109.608 179.295 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.669 HG23 ' HB3' ' A' ' 38' ' ' LEU . 44.4 mt -63.35 -32.21 55.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-N 115.394 -0.821 . . . . 0.0 109.744 178.722 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 14.9 mtmt -71.49 -49.03 45.14 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.156 179.404 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 1.4 tpt180 -69.37 -24.2 63.84 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.635 179.133 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 39.9 mtt180 -82.73 5.85 20.0 Favored 'General case' 0 CA--C 1.533 0.322 0 N-CA-C 112.18 0.437 . . . . 0.0 112.18 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 24.1 t 60.75 34.74 19.79 Favored 'General case' 0 C--O 1.231 0.125 0 CA-C-O 121.092 0.472 . . . . 0.0 110.458 -179.857 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.825 HD21 HD11 ' A' ' 10' ' ' ILE . 8.0 tp -123.11 25.07 8.65 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.667 -0.697 . . . . 0.0 110.76 -179.606 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -69.07 -9.65 60.52 Favored Glycine 0 C--N 1.335 0.522 0 C-N-CA 120.967 -0.635 . . . . 0.0 112.968 179.83 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 21.5 p80 -81.14 -33.07 33.41 Favored 'General case' 0 N--CA 1.454 -0.272 0 CA-C-N 117.269 0.534 . . . . 0.0 109.689 179.025 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.738 HG22 ' O ' ' A' ' 38' ' ' LEU . 6.1 tp -59.87 -33.36 52.32 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.31 0 CA-C-O 121.418 0.628 . . . . 0.0 109.928 178.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.63 HD12 HG21 ' A' ' 44' ' ' VAL . 15.2 pt -85.38 178.15 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.188 0 CA-C-N 114.991 -1.004 . . . . 0.0 110.395 179.477 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 15.1 t -88.28 53.64 2.8 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.257 0.551 . . . . 0.0 110.024 179.22 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.63 HG21 HD12 ' A' ' 42' ' ' ILE . 48.5 t -123.08 146.06 29.0 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.336 0 CA-C-N 115.719 -0.673 . . . . 0.0 111.398 -178.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 3.8 m -110.77 89.35 3.01 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.516 179.381 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 40.1 t . . . . . 0 C--O 1.249 1.053 0 CA-C-O 118.37 -0.824 . . . . 0.0 110.966 179.987 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.487 1.391 0 CA-C-O 120.837 0.351 . . . . 0.0 111.206 . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 40.7 mtp180 -76.3 -51.13 12.6 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.97 -179.883 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' LYS . . . . . 0.478 ' C ' HD23 ' A' ' 4' ' ' LEU . 5.1 pttt -170.77 95.18 0.21 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.022 179.921 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.478 HD23 ' C ' ' A' ' 3' ' ' LYS . 5.1 mt -119.24 147.26 44.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.7 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -59.89 160.28 7.95 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.396 179.584 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 6' ' ' ASP . . . . . 0.487 ' O ' HD12 ' A' ' 10' ' ' ILE . 0.2 OUTLIER -57.19 -27.28 61.81 Favored 'General case' 0 N--CA 1.469 0.476 0 CA-C-O 120.986 0.422 . . . . 0.0 110.048 179.555 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -76.02 -34.6 59.69 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.255 179.432 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -79.69 -38.07 34.36 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.002 179.602 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.485 HD21 HG13 ' A' ' 33' ' ' ILE . 45.5 tp -74.97 -44.5 48.01 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.988 -179.919 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.77 HD11 ' CD2' ' A' ' 38' ' ' LEU . 62.0 mt -69.73 -33.91 58.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.625 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -62.61 -28.6 70.01 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.069 178.65 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 49.4 m -72.6 -46.03 56.18 Favored 'General case' 0 N--CA 1.454 -0.225 0 N-CA-C 109.687 -0.486 . . . . 0.0 109.687 179.342 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.716 ' O ' HG23 ' A' ' 17' ' ' THR . 75.6 t80 -65.09 -39.06 92.63 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.86 -0.609 . . . . 0.0 109.98 178.933 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.458 ' CZ ' ' CG2' ' A' ' 10' ' ' ILE . 7.2 m-30 -72.25 -42.66 65.4 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.628 -0.715 . . . . 0.0 110.545 179.721 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.44 -45.38 80.03 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.332 179.241 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -59.69 -36.11 75.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.915 -0.584 . . . . 0.0 111.419 -179.782 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.716 HG23 ' O ' ' A' ' 13' ' ' TYR . 59.4 p -69.77 -32.55 71.11 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.95 0.405 . . . . 0.0 110.285 179.506 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -77.14 -45.18 27.69 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.619 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' MET . . . . . 0.802 ' CE ' HD12 ' A' ' 21' ' ' LEU . 3.5 ptt? -83.79 -15.91 46.68 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 112.184 0.439 . . . . 0.0 112.184 -179.432 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 21.6 m-20 75.53 37.68 0.42 Allowed 'General case' 0 N--CA 1.464 0.271 0 CA-C-O 121.082 0.468 . . . . 0.0 110.144 -179.049 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.82 HD23 ' N ' ' A' ' 22' ' ' ASN . 3.1 tt -57.76 156.97 7.92 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.725 -0.671 . . . . 0.0 110.397 179.928 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' ASN . . . . . 0.82 ' N ' HD23 ' A' ' 21' ' ' LEU . 48.9 t30 -41.31 137.46 1.43 Allowed 'General case' 0 N--CA 1.472 0.637 0 N-CA-C 112.272 0.471 . . . . 0.0 112.272 -179.646 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.1 -31.42 63.25 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.934 -0.575 . . . . 0.0 111.622 -179.409 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -64.74 -32.98 74.91 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.79 0.329 . . . . 0.0 110.848 -179.757 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' PHE . . . . . 0.781 ' CB ' HD22 ' A' ' 21' ' ' LEU . 3.4 t80 -76.02 -45.93 31.97 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 109.249 -0.648 . . . . 0.0 109.249 179.081 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 63.9 mt -59.42 -42.94 89.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 115.513 -0.767 . . . . 0.0 110.178 178.862 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -74.67 -33.15 62.42 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.387 179.602 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.599 HD23 ' N ' ' A' ' 29' ' ' ILE . 0.6 OUTLIER -67.07 -46.69 73.53 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.758 -0.656 . . . . 0.0 110.077 179.489 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.641 HD11 ' CD2' ' A' ' 25' ' ' PHE . 10.5 mt -68.27 -32.13 54.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.151 179.25 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.49 ' OE2' HG13 ' A' ' 44' ' ' VAL . 0.8 OUTLIER -76.25 -32.31 58.8 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.174 179.184 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 4.7 m-20 -70.01 -28.67 65.68 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.925 179.731 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -80.28 -46.73 15.69 Favored 'General case' 0 CA--C 1.519 -0.24 0 N-CA-C 109.406 -0.591 . . . . 0.0 109.406 179.181 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.664 HG23 ' HB3' ' A' ' 38' ' ' LEU . 45.0 mt -63.62 -32.67 57.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-N 115.351 -0.84 . . . . 0.0 109.577 178.604 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 5.8 mmtt -69.01 -47.65 64.95 Favored 'General case' 0 N--CA 1.456 -0.143 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.08 179.319 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 1.2 tpm_? -68.56 -22.67 64.47 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.578 178.954 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -84.63 7.66 19.5 Favored 'General case' 0 CA--C 1.533 0.319 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.868 179.726 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 2.6 t 59.29 33.57 22.6 Favored 'General case' 0 N--CA 1.461 0.082 0 CA-C-O 121.061 0.458 . . . . 0.0 110.465 -179.594 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.81 ' O ' HG22 ' A' ' 41' ' ' ILE . 8.5 tp -123.01 21.46 9.79 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.717 -0.674 . . . . 0.0 111.379 -179.413 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 39' ' ' GLY . . . . . 0.418 ' HA2' HG12 ' A' ' 42' ' ' ILE . . . -63.63 -25.31 68.76 Favored Glycine 0 C--N 1.334 0.444 0 C-N-CA 120.225 -0.988 . . . . 0.0 111.982 179.481 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -62.54 -24.56 67.58 Favored 'General case' 0 C--N 1.33 -0.244 0 O-C-N 122.451 -0.44 . . . . 0.0 110.598 179.243 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.81 HG22 ' O ' ' A' ' 38' ' ' LEU . 6.2 tp -73.24 -30.72 31.8 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.437 0 CA-C-O 121.107 0.479 . . . . 0.0 110.626 179.828 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.458 ' CD1' HG22 ' A' ' 44' ' ' VAL . 18.8 pt -95.07 157.49 3.06 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.17 0 CA-C-N 115.627 -0.715 . . . . 0.0 111.362 -179.745 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 39.5 t -92.09 75.88 5.43 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 109.519 -0.548 . . . . 0.0 109.519 178.636 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.49 HG12 ' H ' ' A' ' 45' ' ' SER . 1.5 t -76.54 167.35 2.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.914 -178.657 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 45' ' ' SER . . . . . 0.49 ' H ' HG12 ' A' ' 44' ' ' VAL . 12.7 t -91.9 90.88 7.64 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.87 179.923 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 49.4 m . . . . . 0 C--O 1.249 1.068 0 CA-C-O 118.222 -0.894 . . . . 0.0 110.922 179.942 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.574 ' CE ' HD21 ' A' ' 28' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.485 1.311 0 CA-C-O 120.806 0.336 . . . . 0.0 111.201 . . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 34.8 ttt180 -83.6 -27.11 29.43 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.517 -179.812 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' LYS . . . . . 0.764 ' O ' HD23 ' A' ' 4' ' ' LEU . 0.0 OUTLIER -83.41 56.55 3.61 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.93 0.395 . . . . 0.0 111.456 -179.488 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.764 HD23 ' O ' ' A' ' 3' ' ' LYS . 1.1 mt -150.41 141.49 23.04 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.715 179.722 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -68.0 161.0 27.59 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.267 179.35 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 6' ' ' ASP . . . . . 0.5 ' O ' HD12 ' A' ' 10' ' ' ILE . 0.6 OUTLIER -57.35 -27.39 62.21 Favored 'General case' 0 N--CA 1.465 0.305 0 CA-C-O 120.961 0.41 . . . . 0.0 109.991 179.351 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -71.6 -39.26 70.61 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.232 179.296 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -79.27 -35.72 40.93 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.654 179.413 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.482 HD21 HG13 ' A' ' 33' ' ' ILE . 14.7 tp -72.68 -43.9 62.5 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.699 179.911 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.826 HD11 HD21 ' A' ' 38' ' ' LEU . 49.5 mt -71.52 -35.2 55.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.264 179.639 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -62.02 -28.63 69.71 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.209 178.696 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 24.2 m -73.87 -45.67 49.53 Favored 'General case' 0 C--N 1.332 -0.192 0 N-CA-C 109.611 -0.514 . . . . 0.0 109.611 179.253 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.738 ' O ' HG23 ' A' ' 17' ' ' THR . 59.8 t80 -64.48 -38.66 91.78 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.916 -0.584 . . . . 0.0 109.82 178.834 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.452 ' CZ ' ' CG2' ' A' ' 10' ' ' ILE . 8.1 m-30 -72.51 -46.02 56.62 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.581 -0.736 . . . . 0.0 110.294 179.618 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 3.5 mmpt? -65.63 -39.25 91.26 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.646 179.454 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.56 ' HB1' ' HB3' ' A' ' 21' ' ' LEU . . . -68.89 -38.45 79.65 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.939 -0.573 . . . . 0.0 111.821 -179.503 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.738 HG23 ' O ' ' A' ' 13' ' ' TYR . 39.5 p -66.17 -32.54 74.04 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.869 0.366 . . . . 0.0 110.608 179.848 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -74.44 -45.54 45.79 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.504 -179.731 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' MET . . . . . 0.744 ' CE ' HD12 ' A' ' 21' ' ' LEU . 4.9 ptp -83.37 -14.21 53.28 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 112.295 0.48 . . . . 0.0 112.295 -179.38 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 11.6 m-80 75.09 38.95 0.41 Allowed 'General case' 0 N--CA 1.463 0.189 0 CA-C-O 121.27 0.557 . . . . 0.0 109.84 -178.806 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.775 HD23 ' N ' ' A' ' 22' ' ' ASN . 2.4 tt -55.44 160.63 2.27 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 115.365 -0.834 . . . . 0.0 110.592 -179.76 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' ASN . . . . . 0.775 ' N ' HD23 ' A' ' 21' ' ' LEU . 4.8 t-20 -41.99 132.28 3.2 Favored 'General case' 0 N--CA 1.47 0.575 0 N-CA-C 112.15 0.426 . . . . 0.0 112.15 -179.655 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 2.3 tpp180 -55.61 -27.9 52.13 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.011 -0.541 . . . . 0.0 111.774 -179.442 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 9.5 m-20 -69.31 -36.56 77.11 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.698 0.285 . . . . 0.0 110.922 -179.744 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' PHE . . . . . 0.813 ' CD2' HD11 ' A' ' 29' ' ' ILE . 4.9 t80 -74.94 -42.3 57.98 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 109.275 -0.639 . . . . 0.0 109.275 179.13 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 57.7 mt -60.45 -44.44 96.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 115.559 -0.746 . . . . 0.0 109.896 178.783 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -72.77 -33.41 66.29 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.242 179.433 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.598 HD23 ' N ' ' A' ' 29' ' ' ILE . 0.7 OUTLIER -66.35 -47.41 73.53 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.723 -0.671 . . . . 0.0 110.038 179.491 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.813 HD11 ' CD2' ' A' ' 25' ' ' PHE . 6.7 mt -67.9 -32.34 55.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.166 179.267 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.411 ' HB2' ' CE1' ' A' ' 13' ' ' TYR . 3.4 tt0 -76.33 -33.22 59.0 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.96 -0.563 . . . . 0.0 110.093 179.25 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 43.2 m-20 -68.01 -29.26 68.22 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.982 179.73 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 1.4 tp10 -80.43 -46.84 15.28 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 109.428 -0.582 . . . . 0.0 109.428 179.175 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.701 HG23 ' HB3' ' A' ' 38' ' ' LEU . 46.2 mt -63.68 -31.89 54.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-N 115.314 -0.857 . . . . 0.0 109.702 178.53 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 20.1 mttt -71.65 -48.37 48.21 Favored 'General case' 0 N--CA 1.456 -0.157 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.232 179.473 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 58.0 ttt180 -70.33 -23.52 62.84 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.703 179.028 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 18.7 mtt180 -82.75 5.44 21.4 Favored 'General case' 0 CA--C 1.535 0.369 0 CA-C-N 116.27 -0.423 . . . . 0.0 112.001 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 33.7 t 61.51 34.98 17.7 Favored 'General case' 0 C--O 1.232 0.147 0 CA-C-O 121.077 0.465 . . . . 0.0 110.386 -179.82 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.826 HD21 HD11 ' A' ' 10' ' ' ILE . 8.1 tp -123.01 26.83 7.93 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.639 -0.709 . . . . 0.0 110.567 -179.656 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -71.34 -7.2 63.27 Favored Glycine 0 C--N 1.335 0.489 0 C-N-CA 121.006 -0.616 . . . . 0.0 113.025 179.773 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 16.7 t60 -83.92 -31.74 25.48 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 109.587 -0.523 . . . . 0.0 109.587 178.795 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.729 HG22 ' O ' ' A' ' 38' ' ' LEU . 6.1 tp -60.9 -33.38 55.32 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.317 0 CA-C-N 115.787 -0.642 . . . . 0.0 109.982 179.0 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.883 HD12 HG21 ' A' ' 44' ' ' VAL . 14.0 pt -82.51 155.61 3.94 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.19 0 CA-C-N 115.102 -0.954 . . . . 0.0 110.947 179.808 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 15.6 t -77.85 63.28 2.85 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.206 0.527 . . . . 0.0 110.182 179.393 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.883 HG21 HD12 ' A' ' 42' ' ' ILE . 24.9 t -122.78 160.31 25.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 115.741 -0.663 . . . . 0.0 111.255 -179.088 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 45' ' ' SER . . . . . 0.472 ' N ' HG12 ' A' ' 44' ' ' VAL . 1.4 m -102.65 89.38 3.49 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.59 179.478 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.4 m . . . . . 0 C--O 1.249 1.039 0 CA-C-O 118.341 -0.837 . . . . 0.0 110.91 179.936 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.474 ' HG3' HD21 ' A' ' 28' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.391 0 CA-C-O 120.796 0.331 . . . . 0.0 111.202 . . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 6.4 ttt85 -83.11 -51.17 7.75 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.047 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' LYS . . . . . 0.533 ' C ' HD23 ' A' ' 4' ' ' LEU . 0.0 OUTLIER -164.45 96.76 0.77 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.09 -179.895 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.533 HD23 ' C ' ' A' ' 3' ' ' LYS . 2.6 mt -125.72 144.04 50.79 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.669 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.5 m -59.82 158.9 9.71 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.47 179.542 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' ASP . . . . . 0.428 ' HB3' HD21 ' A' ' 38' ' ' LEU . 4.9 m-20 -53.64 -28.61 33.88 Favored 'General case' 0 N--CA 1.464 0.227 0 CA-C-O 120.924 0.393 . . . . 0.0 110.268 179.722 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -68.78 -36.79 78.74 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.459 179.352 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -81.51 -38.33 26.44 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.863 -0.608 . . . . 0.0 111.176 179.595 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.431 HD23 HG12 ' A' ' 33' ' ' ILE . 12.4 tp -75.48 -36.61 60.6 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.367 -179.511 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.647 HD11 HD21 ' A' ' 38' ' ' LEU . 70.5 mt -75.15 -40.11 43.83 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-O 120.784 0.326 . . . . 0.0 110.457 179.92 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -60.91 -28.9 69.26 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.309 178.965 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 1.6 t -74.81 -44.27 50.28 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-O 121.072 0.463 . . . . 0.0 109.903 179.254 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.567 ' O ' HG23 ' A' ' 17' ' ' THR . 44.6 t80 -69.58 -36.59 76.41 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.646 -0.706 . . . . 0.0 110.11 179.297 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.599 ' CE1' HG23 ' A' ' 10' ' ' ILE . 6.1 m-30 -75.09 -38.67 61.12 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.703 -0.681 . . . . 0.0 110.41 179.837 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 3.2 mmpt? -66.47 -54.87 19.2 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.403 179.018 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.594 ' HB1' ' HB3' ' A' ' 21' ' ' LEU . . . -59.59 -31.58 69.6 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.915 -0.584 . . . . 0.0 111.66 -179.623 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.567 HG23 ' O ' ' A' ' 13' ' ' TYR . 5.4 p -69.85 -32.78 71.35 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.878 0.371 . . . . 0.0 110.369 179.754 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -77.6 -46.21 22.86 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.365 -179.885 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' MET . . . . . 0.832 ' CE ' HD12 ' A' ' 21' ' ' LEU . 3.1 ptt? -81.8 -15.43 54.24 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.177 -0.465 . . . . 0.0 112.186 -179.449 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 6.3 m120 73.99 39.62 0.5 Allowed 'General case' 0 N--CA 1.463 0.183 0 CA-C-O 121.139 0.495 . . . . 0.0 110.099 -178.907 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.832 HD12 ' CE ' ' A' ' 19' ' ' MET . 2.6 tt -55.98 160.99 2.51 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.544 -0.753 . . . . 0.0 110.571 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 22' ' ' ASN . . . . . 0.789 ' N ' HD23 ' A' ' 21' ' ' LEU . 6.4 t-20 -40.86 136.53 1.41 Allowed 'General case' 0 N--CA 1.471 0.596 0 N-CA-C 112.336 0.495 . . . . 0.0 112.336 -179.65 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -55.47 -33.09 63.35 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.945 -0.571 . . . . 0.0 111.738 -179.365 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -64.56 -35.05 79.72 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.552 -0.295 . . . . 0.0 111.217 -179.502 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' PHE . . . . . 0.784 ' CD2' HD11 ' A' ' 29' ' ' ILE . 4.5 t80 -74.81 -45.31 44.31 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 109.551 -0.537 . . . . 0.0 109.551 179.389 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 45.7 mt -61.82 -41.84 92.24 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 115.7 -0.682 . . . . 0.0 110.031 179.023 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -73.58 -33.73 64.78 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.112 0.482 . . . . 0.0 110.248 179.344 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.577 HD23 ' N ' ' A' ' 29' ' ' ILE . 0.8 OUTLIER -68.64 -45.67 71.2 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.653 -0.703 . . . . 0.0 110.228 179.597 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.784 HD11 ' CD2' ' A' ' 25' ' ' PHE . 10.3 mt -68.11 -32.66 56.95 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.062 179.356 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.412 ' HB2' ' CE1' ' A' ' 13' ' ' TYR . 4.7 tm-20 -76.6 -33.0 58.43 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.516 179.372 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 43.6 m-20 -67.04 -32.59 73.89 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.945 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.413 ' HG2' HD21 ' A' ' 9' ' ' LEU . 48.4 tt0 -79.16 -45.58 19.66 Favored 'General case' 0 C--N 1.328 -0.37 0 CA-C-O 121.317 0.579 . . . . 0.0 109.469 179.177 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.632 HG23 ' HB3' ' A' ' 38' ' ' LEU . 81.5 mt -63.08 -31.52 52.92 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-N 115.341 -0.845 . . . . 0.0 109.576 178.513 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 17.1 mmtt -71.59 -49.29 41.79 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.637 179.559 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.85 -22.92 63.23 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.767 179.203 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -83.71 6.66 20.23 Favored 'General case' 0 CA--C 1.533 0.319 0 N-CA-C 112.171 0.434 . . . . 0.0 112.171 -179.865 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 26.9 t 61.75 34.73 17.18 Favored 'General case' 0 C--O 1.23 0.067 0 CA-C-O 121.221 0.534 . . . . 0.0 110.182 -179.502 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.647 HD21 HD11 ' A' ' 10' ' ' ILE . 11.4 tp -122.46 22.38 9.99 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.283 -0.871 . . . . 0.0 110.762 -179.432 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -76.81 -2.14 75.34 Favored Glycine 0 C--N 1.335 0.527 0 C-N-CA 120.747 -0.74 . . . . 0.0 113.053 179.864 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 14.4 p80 -88.99 -30.75 18.52 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 117.151 0.475 . . . . 0.0 109.934 179.147 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.507 HG12 HD13 ' A' ' 10' ' ' ILE . 5.6 tp -62.66 -38.63 82.1 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.221 0 CA-C-O 121.605 0.717 . . . . 0.0 109.25 179.353 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.883 HD12 HG21 ' A' ' 44' ' ' VAL . 14.1 pt -70.55 164.82 2.97 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 114.653 -1.158 . . . . 0.0 110.771 179.538 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 13.3 t -84.7 58.49 4.96 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.172 0.511 . . . . 0.0 110.086 179.311 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.883 HG21 HD12 ' A' ' 42' ' ' ILE . 21.3 t -122.59 160.63 24.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 115.72 -0.673 . . . . 0.0 111.167 -179.157 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 45' ' ' SER . . . . . 0.483 ' N ' HG12 ' A' ' 44' ' ' VAL . 2.3 p -97.14 89.34 4.75 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.97 0.414 . . . . 0.0 110.49 179.473 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 77.3 p . . . . . 0 C--O 1.249 1.06 0 CA-C-O 118.232 -0.89 . . . . 0.0 110.916 179.995 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.411 ' HB2' ' CD1' ' A' ' 4' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.362 0 CA-C-O 120.497 0.189 . . . . 0.0 111.01 . . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 1.6 ttt180 -46.96 -35.98 7.17 Favored 'General case' 0 N--CA 1.466 0.346 0 CA-C-O 120.749 0.309 . . . . 0.0 111.754 -179.681 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' LYS . . . . . 0.768 ' C ' HD23 ' A' ' 4' ' ' LEU . 29.1 tttt -177.29 77.36 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.018 179.9 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.768 HD23 ' C ' ' A' ' 3' ' ' LYS . 3.0 mt -123.56 155.41 37.68 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.93 179.769 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.9 m -60.57 149.57 34.37 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.545 179.612 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' ASP . . . . . 0.586 ' O ' HD12 ' A' ' 10' ' ' ILE . 0.1 OUTLIER -60.43 -31.65 70.61 Favored 'General case' 0 C--N 1.33 -0.269 0 N-CA-C 109.822 -0.436 . . . . 0.0 109.822 179.5 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.84 -40.32 96.31 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.271 179.584 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 5.4 mp -79.79 -40.84 27.74 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.533 179.119 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.414 HD21 HG13 ' A' ' 33' ' ' ILE . 10.6 tp -61.65 -42.57 99.09 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.052 -0.522 . . . . 0.0 109.707 179.005 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.881 HD11 HD21 ' A' ' 38' ' ' LEU . 22.0 mt -73.68 -35.03 42.9 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.527 0 CA-C-N 115.688 -0.687 . . . . 0.0 109.804 178.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -61.17 -28.55 69.21 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.007 -0.542 . . . . 0.0 109.948 178.424 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -74.33 -46.45 40.75 Favored 'General case' 0 CA--C 1.52 -0.185 0 N-CA-C 109.445 -0.576 . . . . 0.0 109.445 179.104 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.827 ' O ' HG23 ' A' ' 17' ' ' THR . 74.2 t80 -62.89 -38.23 90.07 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.785 -0.643 . . . . 0.0 109.84 178.841 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.457 ' CE1' ' CG2' ' A' ' 10' ' ' ILE . 5.4 m-30 -73.01 -50.0 25.62 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.498 -0.774 . . . . 0.0 110.227 179.659 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 7.9 mmpt? -61.34 -43.01 99.59 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.503 179.364 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.522 ' HB1' ' HB3' ' A' ' 21' ' ' LEU . . . -62.11 -39.24 91.84 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.827 -0.624 . . . . 0.0 111.807 -179.43 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.827 HG23 ' O ' ' A' ' 13' ' ' TYR . 74.7 p -65.87 -32.41 73.91 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.891 0.377 . . . . 0.0 110.457 179.777 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -75.17 -47.57 27.75 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.535 -179.832 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' MET . . . . . 0.777 ' HE3' HD12 ' A' ' 21' ' ' LEU . 3.6 ptt? -81.27 -13.76 58.13 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 112.272 0.471 . . . . 0.0 112.272 -179.417 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 10.4 m120 74.52 38.3 0.51 Allowed 'General case' 0 N--CA 1.463 0.178 0 CA-C-O 121.226 0.536 . . . . 0.0 110.185 -178.946 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.814 HD23 ' N ' ' A' ' 22' ' ' ASN . 3.2 tt -56.05 157.39 4.61 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 115.531 -0.759 . . . . 0.0 110.608 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 22' ' ' ASN . . . . . 0.814 ' N ' HD23 ' A' ' 21' ' ' LEU . 4.6 t-20 -43.28 131.52 4.63 Favored 'General case' 0 N--CA 1.468 0.461 0 N-CA-C 112.036 0.384 . . . . 0.0 112.036 -179.57 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -54.41 -27.09 34.45 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.976 -0.557 . . . . 0.0 111.802 -179.443 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 20.5 m-20 -67.24 -36.87 82.55 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.772 0.32 . . . . 0.0 110.824 -179.899 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' PHE . . . . . 0.784 ' HB3' HD22 ' A' ' 21' ' ' LEU . 2.5 t80 -75.65 -39.96 56.84 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 109.12 -0.696 . . . . 0.0 109.12 179.03 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 67.5 mt -62.83 -47.46 92.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 115.508 -0.769 . . . . 0.0 109.82 178.688 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 3.7 tp10 -69.16 -33.69 73.81 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.236 179.407 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.549 HD23 ' N ' ' A' ' 29' ' ' ILE . 1.1 tt -67.35 -46.81 72.29 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.116 179.483 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.688 HD11 ' CD2' ' A' ' 25' ' ' PHE . 7.7 mt -69.39 -32.35 52.92 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.115 179.221 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.408 ' HB2' ' CE1' ' A' ' 13' ' ' TYR . 9.6 tt0 -76.79 -31.82 57.24 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.219 179.156 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 6.5 m120 -70.48 -28.56 65.08 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.89 -0.596 . . . . 0.0 110.942 179.776 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -80.37 -46.01 16.77 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 109.497 -0.557 . . . . 0.0 109.497 179.254 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.725 HG23 ' HB3' ' A' ' 38' ' ' LEU . 42.8 mt -63.18 -32.02 54.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-N 115.358 -0.837 . . . . 0.0 109.71 178.64 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 27.9 mttt -69.68 -48.56 59.29 Favored 'General case' 0 N--CA 1.455 -0.177 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.32 179.449 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 2.9 tpt180 -70.88 -23.86 62.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.734 179.275 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 27.9 mtt-85 -81.14 3.33 23.9 Favored 'General case' 0 CA--C 1.535 0.37 0 N-CA-C 111.998 0.369 . . . . 0.0 111.998 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 21.5 t 63.29 33.83 13.73 Favored 'General case' 0 C--O 1.231 0.111 0 CA-C-O 121.068 0.461 . . . . 0.0 110.348 -179.824 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.881 HD21 HD11 ' A' ' 10' ' ' ILE . 8.0 tp -122.47 28.1 7.55 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.647 -0.706 . . . . 0.0 110.521 -179.807 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -71.42 -7.2 63.6 Favored Glycine 0 C--N 1.336 0.573 0 C-N-CA 121.017 -0.611 . . . . 0.0 112.993 179.73 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 12.6 t60 -84.21 -32.13 24.7 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 117.331 0.566 . . . . 0.0 109.664 178.956 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.717 HG22 ' O ' ' A' ' 38' ' ' LEU . 6.3 tp -60.99 -34.18 58.79 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.264 0 CA-C-N 115.747 -0.661 . . . . 0.0 109.963 179.163 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.864 HD12 HG21 ' A' ' 44' ' ' VAL . 14.1 pt -80.57 158.06 4.33 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.2 0 CA-C-N 115.115 -0.948 . . . . 0.0 110.903 179.81 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 24.3 t -79.22 62.34 3.57 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.28 0.562 . . . . 0.0 110.113 179.443 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.864 HG21 HD12 ' A' ' 42' ' ' ILE . 26.3 t -122.58 151.16 26.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 115.752 -0.658 . . . . 0.0 111.245 -179.219 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 2.4 m -102.95 89.55 3.49 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.929 0.395 . . . . 0.0 110.606 179.591 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.249 1.071 0 CA-C-O 118.288 -0.863 . . . . 0.0 110.872 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.486 1.36 0 CA-C-O 120.795 0.331 . . . . 0.0 111.099 . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 9.1 tpt180 -83.04 -51.11 7.84 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.988 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' LYS . . . . . 0.527 ' C ' HD23 ' A' ' 4' ' ' LEU . 0.3 OUTLIER -169.29 90.46 0.21 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.868 -179.953 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.527 HD23 ' C ' ' A' ' 3' ' ' LYS . 3.4 mt -117.7 145.49 44.38 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.621 179.897 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 69.5 m -59.7 159.31 8.85 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.597 179.628 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' ASP . . . . . 0.418 ' HB3' ' CD2' ' A' ' 38' ' ' LEU . 0.8 OUTLIER -57.2 -27.47 62.0 Favored 'General case' 0 N--CA 1.467 0.391 0 CA-C-O 120.999 0.428 . . . . 0.0 110.175 179.468 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -73.34 -34.87 65.87 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.106 179.345 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -79.88 -37.11 35.51 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.639 179.323 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.497 HD21 HG13 ' A' ' 33' ' ' ILE . 15.5 tp -75.07 -46.71 32.93 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.773 -0.649 . . . . 0.0 110.827 179.864 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.744 HD13 HG12 ' A' ' 41' ' ' ILE . 58.2 mt -67.72 -34.56 68.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.638 -179.917 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -61.67 -28.77 69.63 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.178 178.584 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' SER . . . . . 0.416 ' HB2' HD13 ' A' ' 29' ' ' ILE . 0.7 OUTLIER -72.97 -45.05 60.18 Favored 'General case' 0 N--CA 1.455 -0.181 0 N-CA-C 109.638 -0.505 . . . . 0.0 109.638 179.291 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.783 ' O ' HG23 ' A' ' 17' ' ' THR . 59.6 t80 -64.38 -38.39 90.87 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.781 -0.645 . . . . 0.0 109.768 178.851 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.464 ' CE2' HG22 ' A' ' 10' ' ' ILE . 14.8 m-30 -72.72 -46.41 53.73 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.512 -0.767 . . . . 0.0 110.571 179.682 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 40.7 mtmt -64.44 -45.72 86.27 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.385 179.47 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.408 ' HB1' ' HB3' ' A' ' 21' ' ' LEU . . . -59.78 -37.5 79.24 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.933 -0.576 . . . . 0.0 111.669 -179.805 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.783 HG23 ' O ' ' A' ' 13' ' ' TYR . 47.3 p -68.44 -32.21 72.07 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.895 0.378 . . . . 0.0 110.506 179.811 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -77.77 -44.46 27.52 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.02 -0.536 . . . . 0.0 111.61 -179.764 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 19' ' ' MET . . . . . 0.806 ' CE ' HD12 ' A' ' 21' ' ' LEU . 3.8 ptt? -83.79 -15.55 48.01 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 112.172 0.434 . . . . 0.0 112.172 -179.384 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 8.1 m-80 75.6 36.38 0.48 Allowed 'General case' 0 N--CA 1.464 0.268 0 CA-C-O 121.076 0.465 . . . . 0.0 110.155 -179.125 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.823 HD23 ' N ' ' A' ' 22' ' ' ASN . 3.2 tt -56.12 157.68 4.51 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.606 -0.724 . . . . 0.0 110.605 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 22' ' ' ASN . . . . . 0.823 ' N ' HD23 ' A' ' 21' ' ' LEU . 57.8 t30 -42.37 135.56 2.63 Favored 'General case' 0 N--CA 1.47 0.534 0 N-CA-C 112.148 0.425 . . . . 0.0 112.148 -179.742 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -55.68 -27.93 52.79 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.0 -0.545 . . . . 0.0 111.773 -179.391 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -66.09 -35.68 81.16 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.718 0.294 . . . . 0.0 110.644 -179.831 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 25' ' ' PHE . . . . . 0.761 ' HB3' HD22 ' A' ' 21' ' ' LEU . 3.4 t80 -74.69 -43.64 54.16 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 109.259 -0.645 . . . . 0.0 109.259 178.943 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 60.6 mt -61.39 -46.32 96.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 115.499 -0.773 . . . . 0.0 110.168 178.902 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -71.0 -33.01 69.98 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.024 0.44 . . . . 0.0 110.412 179.605 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.561 HD23 ' N ' ' A' ' 29' ' ' ILE . 1.0 OUTLIER -68.11 -46.79 69.95 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.824 -0.625 . . . . 0.0 110.145 179.519 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.755 HD11 ' CD2' ' A' ' 25' ' ' PHE . 9.1 mt -69.4 -32.16 52.18 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.07 179.153 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.499 ' OE2' HG13 ' A' ' 44' ' ' VAL . 6.9 tt0 -76.41 -32.4 58.48 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.037 -0.528 . . . . 0.0 110.202 179.025 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 7.0 m-20 -70.41 -28.02 64.74 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.937 179.754 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 10.3 tp10 -80.42 -46.88 15.23 Favored 'General case' 0 CA--C 1.519 -0.238 0 N-CA-C 109.446 -0.576 . . . . 0.0 109.446 179.112 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.497 HG13 HD21 ' A' ' 9' ' ' LEU . 40.0 mt -62.87 -32.62 56.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-N 115.371 -0.831 . . . . 0.0 109.841 178.766 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 14.4 mttt -69.0 -48.16 63.75 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.236 -0.438 . . . . 0.0 109.854 179.335 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -69.22 -25.52 64.35 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.477 179.018 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -77.51 0.65 22.01 Favored 'General case' 0 CA--C 1.534 0.357 0 CA-C-N 116.219 -0.446 . . . . 0.0 112.051 179.739 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 31.1 t 61.97 33.82 17.12 Favored 'General case' 0 C--O 1.231 0.114 0 CA-C-O 121.107 0.479 . . . . 0.0 110.089 -179.352 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.809 ' O ' HG22 ' A' ' 41' ' ' ILE . 11.3 tp -123.38 24.51 8.66 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.665 -0.698 . . . . 0.0 110.913 -179.51 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 39' ' ' GLY . . . . . 0.438 ' HA2' HG12 ' A' ' 42' ' ' ILE . . . -61.12 -29.03 69.98 Favored Glycine 0 C--N 1.334 0.461 0 C-N-CA 120.321 -0.943 . . . . 0.0 111.905 179.811 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 3.5 t60 -59.03 -24.02 62.47 Favored 'General case' 0 C--N 1.329 -0.303 0 O-C-N 122.59 -0.359 . . . . 0.0 110.937 179.364 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.809 HG22 ' O ' ' A' ' 38' ' ' LEU . 6.4 tp -76.43 -29.66 18.9 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.388 0 CA-C-O 121.067 0.46 . . . . 0.0 110.907 -179.875 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.67 HD12 HG22 ' A' ' 44' ' ' VAL . 15.9 pt -95.27 170.25 1.29 Allowed 'Isoleucine or valine' 0 C--N 1.333 -0.148 0 CA-C-N 115.818 -0.628 . . . . 0.0 111.202 -179.798 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 3.4 t -104.04 73.22 1.13 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.864 -0.607 . . . . 0.0 109.543 178.893 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.67 HG22 HD12 ' A' ' 42' ' ' ILE . 1.5 t -79.29 167.6 2.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 115.793 -0.64 . . . . 0.0 110.944 -178.717 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 45' ' ' SER . . . . . 0.477 ' H ' HG12 ' A' ' 44' ' ' VAL . 39.1 m -86.79 90.43 8.3 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.79 179.842 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.248 1.018 0 CA-C-O 118.247 -0.882 . . . . 0.0 110.925 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.804 ' HE2' HD21 ' A' ' 28' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.402 0 CA-C-O 120.824 0.345 . . . . 0.0 111.2 . . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 1.6 ttt-85 -81.9 -48.86 11.0 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.008 -179.861 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' LYS . . . . . 0.676 ' O ' HD23 ' A' ' 4' ' ' LEU . 0.0 OUTLIER -162.79 99.28 0.99 Allowed 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.911 -179.94 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.676 HD23 ' O ' ' A' ' 3' ' ' LYS . 3.6 mt -135.12 143.73 46.72 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.86 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.2 m -64.66 164.66 11.58 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.428 179.458 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -57.01 -24.93 57.29 Favored 'General case' 0 N--CA 1.466 0.354 0 C-N-CA 120.811 -0.356 . . . . 0.0 110.197 179.279 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 5.2 mt-10 -72.44 -39.16 68.04 Favored 'General case' 0 N--CA 1.454 -0.266 0 CA-C-O 120.957 0.408 . . . . 0.0 110.204 179.421 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -82.13 -32.53 30.07 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.53 179.336 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.489 HD21 HG13 ' A' ' 33' ' ' ILE . 16.7 tp -75.09 -43.25 54.09 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.739 179.707 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.774 HD11 HD21 ' A' ' 38' ' ' LEU . 72.2 mt -70.91 -36.99 66.36 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.415 179.839 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.2 -28.06 69.41 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 109.964 -0.384 . . . . 0.0 109.964 178.58 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 7.4 m -71.35 -46.62 60.06 Favored 'General case' 0 N--CA 1.455 -0.225 0 N-CA-C 109.532 -0.544 . . . . 0.0 109.532 179.17 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.814 ' O ' HG23 ' A' ' 17' ' ' THR . 79.0 t80 -65.17 -41.97 94.14 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.821 -0.627 . . . . 0.0 109.916 178.941 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.48 ' CE1' HG23 ' A' ' 10' ' ' ILE . 5.8 m-30 -67.45 -42.29 83.33 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.229 179.565 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.402 ' HB3' ' HE1' ' A' ' 19' ' ' MET . 1.7 mmpt? -66.26 -49.06 68.46 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.417 179.412 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.459 ' HA ' ' HE2' ' A' ' 19' ' ' MET . . . -59.83 -30.99 69.32 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.949 -0.569 . . . . 0.0 111.652 -179.721 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.814 HG23 ' O ' ' A' ' 13' ' ' TYR . 68.8 p -72.73 -32.45 65.7 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 109.728 -0.471 . . . . 0.0 109.728 179.208 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -76.23 -50.74 13.66 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.046 179.471 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' MET . . . . . 0.616 ' CE ' HD12 ' A' ' 21' ' ' LEU . 0.4 OUTLIER -81.87 -10.1 59.4 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.062 -0.517 . . . . 0.0 112.321 -179.875 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 7.0 m-20 65.34 45.76 2.79 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.176 0.513 . . . . 0.0 110.601 -179.295 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.772 HD23 ' N ' ' A' ' 22' ' ' ASN . 2.3 tt -58.85 161.74 4.64 Favored 'General case' 0 C--N 1.332 -0.196 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.274 179.838 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 22' ' ' ASN . . . . . 0.772 ' N ' HD23 ' A' ' 21' ' ' LEU . 5.3 t-20 -41.08 132.55 2.41 Favored 'General case' 0 N--CA 1.471 0.59 0 N-CA-C 112.181 0.438 . . . . 0.0 112.181 -179.809 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -51.94 -24.88 7.06 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 115.92 -0.582 . . . . 0.0 112.113 -179.319 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -72.59 -34.15 67.22 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.663 0.268 . . . . 0.0 111.25 -179.691 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 25' ' ' PHE . . . . . 0.76 ' HB3' HD22 ' A' ' 21' ' ' LEU . 2.5 t80 -76.07 -42.01 48.83 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 109.579 -0.526 . . . . 0.0 109.579 179.301 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 52.5 mt -61.67 -42.91 96.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 115.681 -0.69 . . . . 0.0 109.819 178.846 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 4.3 tt0 -74.97 -33.53 61.89 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.287 179.459 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.804 HD21 ' HE2' ' A' ' 1' ' ' MET . 1.1 tt -66.92 -46.8 73.7 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.714 -0.676 . . . . 0.0 110.183 179.612 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.726 HD11 ' CD2' ' A' ' 25' ' ' PHE . 6.0 mt -68.63 -32.58 55.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.01 179.252 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.406 ' HB2' ' CE1' ' A' ' 13' ' ' TYR . 1.8 tt0 -76.7 -32.87 58.14 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.366 179.234 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 39.1 m-20 -68.23 -30.25 69.26 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.98 -0.555 . . . . 0.0 111.018 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 1.7 tp10 -80.16 -46.8 15.75 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 109.391 -0.596 . . . . 0.0 109.391 179.018 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.623 HG23 ' HB3' ' A' ' 38' ' ' LEU . 58.7 mt -63.16 -31.96 54.59 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 CA-C-N 115.265 -0.879 . . . . 0.0 109.598 178.568 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 32.9 mmtt -70.9 -49.05 49.98 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.205 179.412 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 5.7 tmm_? -68.15 -22.85 64.83 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.609 178.913 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 10.7 mtt180 -83.9 7.05 19.42 Favored 'General case' 0 CA--C 1.533 0.306 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.967 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 5.2 t 60.23 32.61 20.88 Favored 'General case' 0 C--O 1.231 0.12 0 CA-C-O 121.027 0.441 . . . . 0.0 110.458 -179.626 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.779 ' O ' HG22 ' A' ' 41' ' ' ILE . 7.3 tp -123.34 23.52 9.01 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.91 -179.41 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -69.69 -8.55 60.55 Favored Glycine 0 C--N 1.337 0.613 0 C-N-CA 120.791 -0.718 . . . . 0.0 113.033 179.822 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 81.4 t60 -81.19 -32.89 33.36 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 109.354 -0.61 . . . . 0.0 109.354 178.68 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.779 HG22 ' O ' ' A' ' 38' ' ' LEU . 6.0 tp -59.16 -31.52 46.15 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.365 0 CA-C-N 115.675 -0.693 . . . . 0.0 109.984 178.809 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.837 HD12 HG21 ' A' ' 44' ' ' VAL . 15.3 pt -88.42 147.33 5.3 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.252 0 CA-C-N 115.169 -0.923 . . . . 0.0 111.2 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 7.6 t -72.59 66.39 0.71 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.204 0.526 . . . . 0.0 110.148 179.437 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.837 HG21 HD12 ' A' ' 42' ' ' ILE . 33.8 t -122.55 141.88 41.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 115.747 -0.66 . . . . 0.0 111.438 -179.045 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 6.1 t -116.93 89.25 3.07 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.421 179.317 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 6.9 m . . . . . 0 C--O 1.249 1.059 0 CA-C-O 118.193 -0.908 . . . . 0.0 110.9 -179.929 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.487 1.407 0 CA-C-O 120.842 0.353 . . . . 0.0 111.118 . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 3.9 tpt180 -83.4 -51.15 7.64 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.347 -179.698 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' LYS . . . . . 0.589 ' O ' HD23 ' A' ' 4' ' ' LEU . 6.9 mmpt? -95.88 92.73 6.66 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.409 -0.359 . . . . 0.0 111.365 -179.541 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.589 HD23 ' O ' ' A' ' 3' ' ' LYS . 63.7 mt -153.36 157.8 40.55 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.776 179.723 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -93.64 161.22 14.44 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.131 179.33 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 6' ' ' ASP . . . . . 0.49 ' O ' HD12 ' A' ' 10' ' ' ILE . 0.1 OUTLIER -58.44 -27.47 64.37 Favored 'General case' 0 N--CA 1.466 0.366 0 CA-C-O 120.969 0.414 . . . . 0.0 109.948 179.421 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -76.5 -35.47 58.34 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.324 179.429 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -80.11 -36.79 34.86 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.738 179.488 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.439 HD21 HG13 ' A' ' 33' ' ' ILE . 35.0 tp -75.12 -45.83 38.48 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.768 -0.651 . . . . 0.0 111.013 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.75 HD11 ' CD2' ' A' ' 38' ' ' LEU . 59.8 mt -69.17 -33.8 60.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.646 -179.947 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -62.7 -28.77 70.17 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.107 178.666 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -73.02 -45.23 58.9 Favored 'General case' 0 C--N 1.331 -0.196 0 N-CA-C 109.716 -0.475 . . . . 0.0 109.716 179.427 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.762 ' O ' HG23 ' A' ' 17' ' ' THR . 71.9 t80 -66.17 -39.87 90.09 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.813 -0.63 . . . . 0.0 109.892 178.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.457 ' CE1' HG23 ' A' ' 10' ' ' ILE . 6.0 m-30 -70.5 -44.22 68.08 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.214 179.588 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 2.7 mmpt? -65.31 -48.16 74.06 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.343 179.249 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -60.14 -34.78 74.01 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.891 -0.595 . . . . 0.0 111.754 -179.719 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.762 HG23 ' O ' ' A' ' 13' ' ' TYR . 40.4 p -69.46 -32.59 71.61 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.851 0.358 . . . . 0.0 110.277 179.637 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -76.95 -46.74 23.04 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.37 179.929 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' MET . . . . . 0.862 ' CE ' HD12 ' A' ' 21' ' ' LEU . 3.2 ptt? -83.77 -9.43 58.81 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 112.415 0.524 . . . . 0.0 112.415 -179.603 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 16.1 m-80 66.28 41.43 3.4 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.102 0.477 . . . . 0.0 110.348 -178.886 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.862 HD12 ' CE ' ' A' ' 19' ' ' MET . 2.8 tt -57.48 159.9 4.56 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.676 -0.693 . . . . 0.0 110.422 179.843 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 22' ' ' ASN . . . . . 0.8 ' N ' HD23 ' A' ' 21' ' ' LEU . 30.4 t30 -42.16 137.17 1.99 Allowed 'General case' 0 N--CA 1.471 0.582 0 N-CA-C 112.121 0.415 . . . . 0.0 112.121 -179.711 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -55.21 -29.76 58.58 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.786 -179.322 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -66.2 -35.16 79.73 Favored 'General case' 0 C--N 1.327 -0.412 0 C-N-CA 120.948 -0.301 . . . . 0.0 111.152 -179.692 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' PHE . . . . . 0.788 ' CB ' HD22 ' A' ' 21' ' ' LEU . 2.6 t80 -74.38 -44.66 51.17 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 109.48 -0.563 . . . . 0.0 109.48 179.241 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 53.1 mt -61.61 -43.33 96.85 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 115.547 -0.751 . . . . 0.0 110.17 179.001 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -73.32 -34.07 65.5 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.07 0.462 . . . . 0.0 110.255 179.578 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.566 HD23 ' N ' ' A' ' 29' ' ' ILE . 0.9 OUTLIER -67.41 -46.47 73.12 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.054 179.5 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.682 HD11 ' CD2' ' A' ' 25' ' ' PHE . 6.7 mt -68.86 -32.2 53.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.14 179.312 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -76.53 -32.95 58.56 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.152 179.249 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 49.6 m-20 -70.0 -28.09 65.23 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.889 -0.596 . . . . 0.0 111.005 179.808 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 8.3 tp10 -80.54 -46.73 15.31 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 109.411 -0.588 . . . . 0.0 109.411 179.219 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.686 HG23 ' HB3' ' A' ' 38' ' ' LEU . 44.1 mt -64.8 -32.81 59.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-N 115.286 -0.87 . . . . 0.0 109.704 178.604 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 14.9 mmtt -69.82 -44.97 68.88 Favored 'General case' 0 N--CA 1.455 -0.188 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.096 179.332 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 1.7 ttt-85 -70.94 -24.6 62.47 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.486 178.831 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 7.6 mtt180 -82.85 5.84 20.38 Favored 'General case' 0 CA--C 1.533 0.298 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.992 179.778 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 48.3 t 60.38 34.5 20.66 Favored 'General case' 0 C--O 1.232 0.158 0 CA-C-O 121.13 0.49 . . . . 0.0 110.331 -179.632 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.788 ' O ' HG22 ' A' ' 41' ' ' ILE . 8.9 tp -123.04 16.87 10.02 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.717 -0.674 . . . . 0.0 111.609 -179.288 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 39' ' ' GLY . . . . . 0.424 ' HA2' HG12 ' A' ' 42' ' ' ILE . . . -59.56 -25.62 61.13 Favored Glycine 0 C--N 1.336 0.54 0 C-N-CA 120.219 -0.991 . . . . 0.0 112.015 179.709 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 10.8 t60 -61.19 -26.54 67.79 Favored 'General case' 0 C--N 1.33 -0.256 0 O-C-N 122.543 -0.386 . . . . 0.0 110.533 179.065 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.788 HG22 ' O ' ' A' ' 38' ' ' LEU . 6.1 tp -72.18 -31.01 37.9 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.377 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.858 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.459 ' CD1' HG22 ' A' ' 44' ' ' VAL . 18.2 pt -94.9 157.49 3.05 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.188 0 CA-C-N 115.7 -0.682 . . . . 0.0 111.249 -179.767 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 38.4 t -92.3 75.0 5.33 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 109.589 -0.523 . . . . 0.0 109.589 178.7 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.459 HG22 ' CD1' ' A' ' 42' ' ' ILE . 1.5 t -75.79 129.25 37.19 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.833 -178.76 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 73.5 p -73.46 90.58 1.72 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.924 0.392 . . . . 0.0 110.782 179.893 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 89.8 p . . . . . 0 C--O 1.248 1.01 0 CA-C-O 118.244 -0.884 . . . . 0.0 110.878 -179.941 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.594 ' HE3' HD21 ' A' ' 28' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.361 0 CA-C-O 120.904 0.383 . . . . 0.0 111.228 . . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -83.24 -23.47 32.74 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.558 -179.876 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 15.1 tttt -52.16 -26.24 10.97 Favored 'General case' 0 N--CA 1.464 0.227 0 N-CA-C 111.778 0.288 . . . . 0.0 111.778 -179.601 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 5.9 mt -86.0 146.88 26.47 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.916 0.389 . . . . 0.0 110.911 -179.871 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 74.6 m -63.93 164.96 9.45 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.63 179.573 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' ASP . . . . . 0.482 ' O ' HD12 ' A' ' 10' ' ' ILE . 0.5 OUTLIER -57.91 -25.27 60.63 Favored 'General case' 0 N--CA 1.465 0.31 0 CA-C-O 120.881 0.372 . . . . 0.0 110.058 179.347 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -73.19 -40.83 64.46 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-O 121.139 0.495 . . . . 0.0 109.99 179.251 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -78.61 -32.95 47.71 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.584 -0.735 . . . . 0.0 110.337 179.216 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 16.8 tp -75.12 -47.44 28.59 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.502 179.639 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.756 HD11 ' CD2' ' A' ' 38' ' ' LEU . 49.8 mt -67.56 -40.48 84.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.412 179.827 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 27.9 mt-10 -58.9 -30.11 67.56 Favored 'General case' 0 C--O 1.22 -0.5 0 N-CA-C 109.952 -0.388 . . . . 0.0 109.952 178.519 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -67.7 -46.13 73.12 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.182 -0.463 . . . . 0.0 109.769 179.169 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.835 ' O ' HG23 ' A' ' 17' ' ' THR . 72.9 t80 -64.07 -41.05 97.48 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.151 179.069 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.457 ' CZ ' ' CG2' ' A' ' 10' ' ' ILE . 7.3 m-30 -70.03 -49.02 55.5 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.393 -0.822 . . . . 0.0 111.053 -179.894 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.419 ' HD2' ' N ' ' A' ' 15' ' ' LYS . 0.0 OUTLIER -59.92 -45.25 93.19 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.471 179.84 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.492 ' HB1' ' HB3' ' A' ' 21' ' ' LEU . . . -61.65 -37.47 84.17 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.921 -0.582 . . . . 0.0 112.117 -179.413 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.835 HG23 ' O ' ' A' ' 13' ' ' TYR . 78.1 p -67.59 -32.17 72.72 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.885 0.374 . . . . 0.0 110.596 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -77.64 -46.42 22.08 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.501 -179.868 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' MET . . . . . 0.826 ' CE ' HD12 ' A' ' 21' ' ' LEU . 4.0 ptp -81.05 -15.28 56.5 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.969 -179.711 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 10.4 m-80 75.36 36.79 0.48 Allowed 'General case' 0 N--CA 1.464 0.231 0 CA-C-O 121.11 0.481 . . . . 0.0 110.122 -179.109 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.826 HD12 ' CE ' ' A' ' 19' ' ' MET . 3.0 tt -56.83 158.43 4.76 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.686 -0.688 . . . . 0.0 110.431 179.944 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 22' ' ' ASN . . . . . 0.809 ' N ' HD23 ' A' ' 21' ' ' LEU . 35.0 t30 -42.54 134.8 2.98 Favored 'General case' 0 N--CA 1.471 0.579 0 N-CA-C 112.078 0.399 . . . . 0.0 112.078 -179.57 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -56.28 -27.97 57.15 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.771 -179.396 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 1.7 t0 -65.48 -36.99 85.53 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.817 0.341 . . . . 0.0 110.693 -179.842 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' PHE . . . . . 0.739 ' CD2' HD11 ' A' ' 29' ' ' ILE . 3.3 t80 -74.23 -42.7 59.29 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 109.209 -0.663 . . . . 0.0 109.209 178.918 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 72.1 mt -60.95 -45.47 98.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 115.341 -0.845 . . . . 0.0 110.098 178.834 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -73.53 -33.27 64.65 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.437 179.75 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.594 HD21 ' HE3' ' A' ' 1' ' ' MET . 0.9 OUTLIER -67.07 -46.84 73.09 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.088 179.468 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.739 HD11 ' CD2' ' A' ' 25' ' ' PHE . 8.5 mt -68.87 -32.76 55.99 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.149 179.251 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -76.66 -32.13 57.75 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.277 179.296 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 6.8 m-20 -70.3 -28.69 65.38 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.046 -0.524 . . . . 0.0 111.06 179.808 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 16.5 tp10 -80.39 -45.74 17.19 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.271 0.558 . . . . 0.0 109.561 179.202 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.723 HG23 ' HB3' ' A' ' 38' ' ' LEU . 46.4 mt -64.03 -32.02 55.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-N 115.317 -0.856 . . . . 0.0 109.802 178.707 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 59.9 mttt -70.73 -47.32 60.35 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.135 179.305 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 10.4 ttt85 -70.67 -23.79 62.57 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.589 179.068 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 5.7 mtt180 -83.02 5.86 20.76 Favored 'General case' 0 CA--C 1.534 0.352 0 CA-C-N 116.341 -0.391 . . . . 0.0 112.05 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 8.6 t 60.91 34.38 19.55 Favored 'General case' 0 C--O 1.232 0.141 0 CA-C-O 121.039 0.447 . . . . 0.0 110.466 -179.796 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.756 ' CD2' HD11 ' A' ' 10' ' ' ILE . 9.0 tp -122.6 26.92 8.07 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.676 -0.693 . . . . 0.0 110.478 -179.656 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -70.61 -7.88 62.1 Favored Glycine 0 C--N 1.336 0.566 0 C-N-CA 121.082 -0.58 . . . . 0.0 113.146 179.889 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 39.4 p-80 -83.34 -31.53 26.75 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 117.281 0.541 . . . . 0.0 109.553 178.823 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.755 HG12 HD13 ' A' ' 10' ' ' ILE . 6.2 tp -61.33 -33.49 56.85 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.296 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.046 179.161 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.832 HD12 HG21 ' A' ' 44' ' ' VAL . 13.7 pt -81.79 161.52 3.64 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.186 0 CA-C-N 115.107 -0.951 . . . . 0.0 110.926 179.95 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 42.9 t -80.33 60.64 3.84 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.172 0.511 . . . . 0.0 110.154 179.337 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.832 HG21 HD12 ' A' ' 42' ' ' ILE . 32.4 t -122.87 160.26 25.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 115.72 -0.673 . . . . 0.0 111.181 -179.041 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 45' ' ' SER . . . . . 0.473 ' N ' HG12 ' A' ' 44' ' ' VAL . 72.0 p -103.29 89.43 3.4 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.982 0.42 . . . . 0.0 110.444 179.398 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 16.2 m . . . . . 0 C--O 1.248 0.988 0 CA-C-O 118.261 -0.876 . . . . 0.0 110.947 179.921 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.467 ' H2 ' HD11 ' A' ' 4' ' ' LEU . 4.8 mmt . . . . . 0 N--CA 1.488 1.472 0 CA-C-O 120.74 0.305 . . . . 0.0 111.287 . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 61.5 mtt180 -83.11 -51.28 7.66 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.297 -179.721 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' LYS . . . . . 0.78 ' C ' HD13 ' A' ' 4' ' ' LEU . 31.4 mttt -151.88 101.61 2.76 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.374 -0.375 . . . . 0.0 111.067 -179.726 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.78 HD13 ' C ' ' A' ' 3' ' ' LYS . 0.0 OUTLIER -128.95 141.58 51.22 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.565 179.951 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.8 m -63.46 161.06 15.03 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.328 179.438 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' ASP . . . . . 0.592 ' OD2' HD13 ' A' ' 38' ' ' LEU . 1.0 OUTLIER -55.19 -28.93 56.5 Favored 'General case' 0 N--CA 1.464 0.274 0 CA-C-O 121.014 0.435 . . . . 0.0 110.01 179.396 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -68.51 -38.94 81.35 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.499 179.582 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -80.54 -36.95 32.38 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.24 179.776 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 20.3 tp -75.47 -36.93 60.56 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.426 -179.657 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.705 HD11 HD21 ' A' ' 38' ' ' LEU . 73.0 mt -74.34 -40.07 49.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-O 120.682 0.277 . . . . 0.0 110.809 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -61.88 -27.99 69.18 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 110.082 -0.34 . . . . 0.0 110.082 178.97 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -74.54 -44.97 48.58 Favored 'General case' 0 N--CA 1.456 -0.153 0 CA-C-O 121.008 0.432 . . . . 0.0 109.954 179.429 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.589 ' CD2' HG22 ' A' ' 42' ' ' ILE . 64.0 t80 -66.88 -36.74 82.98 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.774 -0.648 . . . . 0.0 109.904 179.043 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.457 ' CZ ' HG23 ' A' ' 10' ' ' ILE . 7.6 m-30 -75.42 -41.17 56.65 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.522 -0.763 . . . . 0.0 110.703 179.892 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -67.02 -47.8 70.32 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.69 179.473 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.572 ' HB1' ' HB3' ' A' ' 21' ' ' LEU . . . -65.34 -35.85 82.24 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.989 -0.551 . . . . 0.0 111.619 -179.549 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.58 HG23 ' O ' ' A' ' 13' ' ' TYR . 11.6 p -67.39 -32.4 73.27 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.977 0.417 . . . . 0.0 110.544 179.88 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -74.68 -46.29 38.9 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.416 -179.759 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 19' ' ' MET . . . . . 0.785 ' CE ' HD12 ' A' ' 21' ' ' LEU . 3.9 ptt? -82.73 -14.13 55.1 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.124 -0.489 . . . . 0.0 112.178 -179.387 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 11.0 m-80 74.41 38.01 0.54 Allowed 'General case' 0 N--CA 1.464 0.228 0 CA-C-O 121.164 0.506 . . . . 0.0 109.912 -178.895 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.808 HD23 ' N ' ' A' ' 22' ' ' ASN . 2.7 tt -53.73 159.66 1.56 Allowed 'General case' 0 CA--C 1.531 0.219 0 CA-C-N 115.566 -0.743 . . . . 0.0 110.738 -179.928 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 22' ' ' ASN . . . . . 0.808 ' N ' HD23 ' A' ' 21' ' ' LEU . 30.4 t-20 -40.64 137.38 1.16 Allowed 'General case' 0 N--CA 1.472 0.636 0 N-CA-C 112.388 0.514 . . . . 0.0 112.388 -179.744 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 3.7 tpt180 -56.58 -32.06 64.84 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.959 -0.564 . . . . 0.0 111.684 -179.376 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -65.97 -35.52 80.8 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.726 0.298 . . . . 0.0 111.14 -179.603 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 25' ' ' PHE . . . . . 0.761 ' HB3' HD22 ' A' ' 21' ' ' LEU . 5.9 t80 -73.93 -45.49 50.14 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 179.146 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 47.2 mt -60.94 -46.06 97.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 115.44 -0.8 . . . . 0.0 110.031 178.838 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -68.67 -32.95 73.15 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.014 0.435 . . . . 0.0 110.166 179.302 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.592 HD23 ' N ' ' A' ' 29' ' ' ILE . 0.4 OUTLIER -68.03 -46.09 72.17 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.08 179.424 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.731 HD11 ' CD2' ' A' ' 25' ' ' PHE . 7.2 mt -69.91 -32.31 51.23 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.369 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.039 179.103 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 12.6 tt0 -76.88 -32.58 57.56 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.455 179.29 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 14.3 m-20 -69.37 -31.9 70.59 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.053 -179.83 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -79.28 -45.81 18.99 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 109.325 -0.62 . . . . 0.0 109.325 179.199 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.61 HG23 HD23 ' A' ' 38' ' ' LEU . 86.0 mt -62.06 -31.94 52.89 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 115.43 -0.804 . . . . 0.0 109.736 178.549 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 21.1 mttt -71.54 -49.33 41.85 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.512 179.617 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -70.51 -24.14 62.78 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.794 179.313 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 5.0 mtt-85 -82.98 6.23 19.42 Favored 'General case' 0 CA--C 1.533 0.306 0 N-CA-C 112.154 0.427 . . . . 0.0 112.154 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 3.4 t 61.71 31.91 18.46 Favored 'General case' 0 C--O 1.232 0.148 0 CA-C-O 121.072 0.463 . . . . 0.0 110.23 -179.56 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.705 HD21 HD11 ' A' ' 10' ' ' ILE . 5.3 tp -117.95 21.27 12.93 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.603 -0.726 . . . . 0.0 110.78 -179.862 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -73.39 -4.73 65.29 Favored Glycine 0 C--N 1.337 0.628 0 C-N-CA 120.88 -0.676 . . . . 0.0 113.183 179.905 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 74.6 t60 -88.55 -31.4 18.68 Favored 'General case' 0 N--CA 1.455 -0.196 0 CA-C-N 117.292 0.546 . . . . 0.0 110.401 179.599 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.548 HG12 HD13 ' A' ' 10' ' ' ILE . 5.2 tp -62.08 -38.51 81.04 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.289 0 CA-C-O 121.596 0.712 . . . . 0.0 109.368 179.517 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.908 HD12 HG21 ' A' ' 44' ' ' VAL . 13.0 pt -70.35 162.52 4.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 114.647 -1.16 . . . . 0.0 110.947 179.733 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 7.4 t -82.78 60.18 5.18 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.206 0.527 . . . . 0.0 109.986 179.24 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.908 HG21 HD12 ' A' ' 42' ' ' ILE . 29.1 t -122.54 148.05 26.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 115.656 -0.702 . . . . 0.0 111.22 -179.08 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 89.4 p -108.71 89.5 3.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.619 179.455 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 2.7 m . . . . . 0 C--O 1.25 1.085 0 CA-C-O 118.252 -0.88 . . . . 0.0 110.88 179.956 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.578 ' H1 ' HD11 ' A' ' 4' ' ' LEU . 25.4 mmt . . . . . 0 N--CA 1.487 1.38 0 CA-C-O 120.818 0.342 . . . . 0.0 111.154 . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 24.0 ttm-85 -69.37 -51.21 38.91 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.955 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' LYS . . . . . 0.527 ' O ' HD23 ' A' ' 4' ' ' LEU . 0.0 OUTLIER -164.97 106.35 0.81 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.865 179.956 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.578 HD11 ' H1 ' ' A' ' 1' ' ' MET . 3.6 mt -130.62 143.41 50.73 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.661 -179.769 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 9.1 m -60.6 160.03 9.73 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.481 179.535 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -56.08 -27.0 51.85 Favored 'General case' 0 N--CA 1.465 0.291 0 CA-C-O 120.934 0.397 . . . . 0.0 110.278 179.505 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -72.87 -36.26 67.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.247 179.473 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -80.68 -36.31 32.53 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.844 179.489 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.451 HD21 HG13 ' A' ' 33' ' ' ILE . 26.7 tp -75.14 -44.08 48.96 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.889 179.927 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.682 HD13 HG12 ' A' ' 41' ' ' ILE . 66.2 mt -70.59 -34.39 57.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.486 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 29.6 mt-10 -62.63 -28.67 70.07 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.082 178.827 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 2.0 m -72.87 -46.45 52.8 Favored 'General case' 0 C--N 1.331 -0.215 0 N-CA-C 109.692 -0.485 . . . . 0.0 109.692 179.302 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.685 ' O ' HG23 ' A' ' 17' ' ' THR . 63.2 t80 -64.58 -39.51 93.88 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.935 -0.575 . . . . 0.0 109.895 178.842 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.467 ' CE1' HG23 ' A' ' 10' ' ' ILE . 5.7 m-30 -70.43 -45.42 65.87 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.246 179.6 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 2.1 mmpt? -65.51 -47.6 75.44 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.448 179.463 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.551 ' HB1' ' HB3' ' A' ' 21' ' ' LEU . . . -61.88 -34.87 76.8 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.82 -0.627 . . . . 0.0 111.654 -179.637 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.685 HG23 ' O ' ' A' ' 13' ' ' TYR . 20.7 p -69.16 -32.59 72.03 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.873 0.368 . . . . 0.0 110.378 179.705 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 -75.5 -45.86 35.81 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.059 -0.518 . . . . 0.0 111.476 -179.874 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' MET . . . . . 0.768 ' CE ' HD12 ' A' ' 21' ' ' LEU . 3.5 ptt? -82.93 -14.73 53.6 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.036 -0.529 . . . . 0.0 112.127 -179.476 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 9.8 m120 74.46 39.45 0.46 Allowed 'General case' 0 N--CA 1.462 0.17 0 CA-C-O 121.249 0.547 . . . . 0.0 110.119 -178.976 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.819 HD23 ' N ' ' A' ' 22' ' ' ASN . 3.1 tt -55.82 158.44 3.68 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 115.537 -0.756 . . . . 0.0 110.505 -179.919 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 22' ' ' ASN . . . . . 0.819 ' N ' HD23 ' A' ' 21' ' ' LEU . 42.0 t-20 -41.7 132.99 2.83 Favored 'General case' 0 N--CA 1.471 0.591 0 N-CA-C 112.137 0.421 . . . . 0.0 112.137 -179.752 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 18.5 tpt180 -53.19 -29.46 32.08 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.973 -0.558 . . . . 0.0 111.974 -179.249 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -67.11 -36.09 81.16 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.77 0.319 . . . . 0.0 111.047 -179.787 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 25' ' ' PHE . . . . . 0.819 ' CD2' HD11 ' A' ' 29' ' ' ILE . 7.7 t80 -74.26 -43.42 57.0 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 109.237 -0.653 . . . . 0.0 109.237 179.111 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 56.7 mt -61.9 -47.32 93.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 115.464 -0.789 . . . . 0.0 109.896 178.872 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -68.82 -31.18 69.98 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.979 0.419 . . . . 0.0 110.352 179.407 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.591 HD23 ' N ' ' A' ' 29' ' ' ILE . 0.5 OUTLIER -68.74 -46.85 67.78 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.009 179.538 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.819 HD11 ' CD2' ' A' ' 25' ' ' PHE . 9.0 mt -70.17 -31.93 49.12 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-O 120.972 0.415 . . . . 0.0 110.019 179.148 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.576 ' HG3' HD12 ' A' ' 42' ' ' ILE . 11.1 tt0 -76.75 -33.28 58.12 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.183 179.156 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 17.1 m-20 -69.09 -29.88 68.06 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.982 179.884 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 8.1 tp10 -80.17 -45.37 18.22 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.249 0.547 . . . . 0.0 109.541 179.204 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.557 HG23 ' HB3' ' A' ' 38' ' ' LEU . 73.5 mt -64.42 -33.48 63.14 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-N 115.385 -0.825 . . . . 0.0 109.62 178.71 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 11.1 mttt -68.19 -47.27 68.39 Favored 'General case' 0 N--CA 1.454 -0.227 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.017 179.388 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 25.8 ttt180 -70.54 -25.51 63.14 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.708 179.291 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 28.8 mtt180 -79.41 1.91 23.67 Favored 'General case' 0 CA--C 1.534 0.339 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.89 179.677 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 8.5 t 61.39 34.28 18.37 Favored 'General case' 0 C--O 1.231 0.128 0 CA-C-O 121.023 0.44 . . . . 0.0 110.034 -179.315 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.799 ' O ' HG22 ' A' ' 41' ' ' ILE . 9.5 tp -123.17 18.12 9.94 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.631 -0.713 . . . . 0.0 111.201 -179.501 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 39' ' ' GLY . . . . . 0.454 ' O ' HG23 ' A' ' 44' ' ' VAL . . . -59.31 -28.8 64.99 Favored Glycine 0 C--N 1.335 0.526 0 C-N-CA 120.526 -0.845 . . . . 0.0 111.903 179.35 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 32.0 p80 -58.9 -27.75 65.53 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.875 0.369 . . . . 0.0 110.441 179.175 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.799 HG22 ' O ' ' A' ' 38' ' ' LEU . 6.1 tp -71.56 -32.39 45.73 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.281 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.231 179.618 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.632 ' CG1' HG22 ' A' ' 44' ' ' VAL . 14.7 pt -97.31 -174.92 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.16 0 CA-C-N 115.702 -0.681 . . . . 0.0 111.306 -179.648 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 5.8 t -101.04 79.93 2.07 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 108.721 -0.844 . . . . 0.0 108.721 178.088 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.632 HG22 ' CG1' ' A' ' 42' ' ' ILE . 1.7 t -89.2 112.9 24.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.919 -178.539 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 11.4 t -94.03 89.93 6.23 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.569 179.701 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.249 1.057 0 CA-C-O 118.181 -0.914 . . . . 0.0 110.922 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.485 1.317 0 CA-C-O 120.773 0.321 . . . . 0.0 111.084 . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 3.1 tpt180 -67.66 -51.07 54.2 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.952 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' LYS . . . . . 0.418 ' O ' HD23 ' A' ' 4' ' ' LEU . 3.4 pttm -171.85 99.65 0.18 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.898 179.859 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.418 HD23 ' O ' ' A' ' 3' ' ' LYS . 3.6 mt -125.47 143.9 50.78 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.628 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.2 m -60.54 160.36 9.11 Favored 'General case' 0 CA--C 1.519 -0.24 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.366 179.438 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' ASP . . . . . 0.725 ' HB3' HD21 ' A' ' 38' ' ' LEU . 3.0 m-20 -53.32 -28.59 29.28 Favored 'General case' 0 N--CA 1.465 0.284 0 CA-C-O 121.012 0.434 . . . . 0.0 110.205 179.61 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -67.0 -38.16 85.49 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.384 179.426 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -82.16 -36.77 27.05 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.974 -0.557 . . . . 0.0 111.178 179.515 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 17.0 tp -75.25 -37.2 61.1 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.381 -179.761 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.636 HD13 HG12 ' A' ' 41' ' ' ILE . 62.4 mt -74.91 -40.25 45.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.462 179.911 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -61.31 -28.33 69.12 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.127 178.907 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 1.7 t -74.22 -44.26 53.86 Favored 'General case' 0 CA--C 1.52 -0.174 0 N-CA-C 109.773 -0.455 . . . . 0.0 109.773 179.249 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.797 ' O ' HG23 ' A' ' 17' ' ' THR . 80.9 t80 -67.74 -39.22 84.26 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.711 -0.677 . . . . 0.0 109.815 179.057 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.458 ' CZ ' ' CG2' ' A' ' 10' ' ' ILE . 10.1 m-30 -72.81 -40.5 65.77 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.531 -0.759 . . . . 0.0 110.595 179.819 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 3.0 mmpt? -66.36 -48.52 69.94 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.407 179.264 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.42 ' HB1' ' HB3' ' A' ' 21' ' ' LEU . . . -59.07 -35.7 73.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.825 -0.625 . . . . 0.0 111.632 -179.647 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.797 HG23 ' O ' ' A' ' 13' ' ' TYR . 68.4 p -70.02 -32.47 70.64 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.882 0.373 . . . . 0.0 110.351 179.661 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -77.41 -44.76 28.06 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.408 -179.802 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' MET . . . . . 0.829 ' CE ' HD12 ' A' ' 21' ' ' LEU . 4.0 ptp -83.92 -15.5 47.73 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 112.217 0.451 . . . . 0.0 112.217 -179.356 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 17.4 m-20 74.84 37.69 0.5 Allowed 'General case' 0 N--CA 1.463 0.186 0 CA-C-O 121.135 0.493 . . . . 0.0 110.092 -178.99 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.829 HD12 ' CE ' ' A' ' 19' ' ' MET . 3.0 tt -56.37 158.64 4.12 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 115.556 -0.747 . . . . 0.0 110.652 -179.893 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 22' ' ' ASN . . . . . 0.802 ' N ' HD23 ' A' ' 21' ' ' LEU . 37.8 t-20 -43.22 136.69 2.86 Favored 'General case' 0 N--CA 1.469 0.501 0 N-CA-C 112.105 0.409 . . . . 0.0 112.105 -179.681 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 10.7 tpt180 -56.72 -31.11 64.18 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.953 -0.567 . . . . 0.0 111.57 -179.462 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 52.4 m-20 -64.46 -35.12 79.89 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 120.77 0.319 . . . . 0.0 110.964 -179.62 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' PHE . . . . . 0.894 ' CD2' HD11 ' A' ' 29' ' ' ILE . 6.4 t80 -74.54 -43.73 54.45 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 109.291 -0.633 . . . . 0.0 109.291 179.04 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 53.8 mt -60.37 -46.27 95.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 115.559 -0.746 . . . . 0.0 110.117 178.893 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -68.27 -33.33 74.16 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.136 0.493 . . . . 0.0 110.235 179.375 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.591 HD23 ' N ' ' A' ' 29' ' ' ILE . 0.5 OUTLIER -68.51 -46.12 70.45 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.689 -0.687 . . . . 0.0 110.175 179.615 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.894 HD11 ' CD2' ' A' ' 25' ' ' PHE . 8.4 mt -69.65 -32.7 53.46 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.313 -0.403 . . . . 0.0 109.96 179.183 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 9.1 tt0 -77.16 -32.25 56.13 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.557 179.405 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -70.1 -30.08 67.2 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.14 -179.905 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 3.6 tp10 -80.36 -45.05 18.42 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 109.627 -0.508 . . . . 0.0 109.627 179.273 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.705 HG23 ' HB3' ' A' ' 38' ' ' LEU . 64.3 mt -63.23 -31.84 54.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-N 115.482 -0.781 . . . . 0.0 109.755 178.727 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 24.9 mttt -71.32 -49.17 45.32 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.66 179.707 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -70.61 -23.55 62.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.822 179.291 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 13.1 mtt180 -82.82 5.56 21.18 Favored 'General case' 0 CA--C 1.533 0.311 0 N-CA-C 112.16 0.43 . . . . 0.0 112.16 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 4.5 t 61.51 33.88 18.26 Favored 'General case' 0 C--O 1.231 0.094 0 CA-C-O 121.133 0.492 . . . . 0.0 110.185 -179.502 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.725 HD21 ' HB3' ' A' ' 6' ' ' ASP . 12.8 tp -117.64 3.85 12.36 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.443 -0.798 . . . . 0.0 111.599 -179.622 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 39' ' ' GLY . . . . . 0.456 ' HA2' HG12 ' A' ' 42' ' ' ILE . . . -56.65 -24.36 47.45 Favored Glycine 0 C--N 1.34 0.806 0 C-N-CA 120.485 -0.864 . . . . 0.0 112.372 179.88 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 18.0 t60 -62.8 -17.41 61.16 Favored 'General case' 0 C--N 1.329 -0.304 0 O-C-N 122.628 -0.336 . . . . 0.0 111.28 179.393 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.636 HG12 HD13 ' A' ' 10' ' ' ILE . 5.8 tp -84.87 -37.48 12.46 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.305 0 CA-C-O 121.236 0.541 . . . . 0.0 110.716 -179.444 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.773 HD12 HG22 ' A' ' 44' ' ' VAL . 12.3 pt -82.13 158.1 3.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 115.449 -0.796 . . . . 0.0 111.436 -179.705 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 4.9 t -91.75 72.83 5.79 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.962 -0.563 . . . . 0.0 109.622 178.851 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.773 HG22 HD12 ' A' ' 42' ' ' ILE . 1.6 t -77.03 140.0 17.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.907 -178.763 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 1.4 m -79.78 90.54 5.25 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.874 179.882 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 16.9 t . . . . . 0 C--O 1.249 1.033 0 CA-C-O 118.288 -0.863 . . . . 0.0 110.817 -179.942 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.746 ' HE2' HD21 ' A' ' 28' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.373 0 CA-C-O 120.786 0.327 . . . . 0.0 111.251 . . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 15.4 mtt-85 -82.99 -51.06 7.91 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.982 -179.925 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' LYS . . . . . 0.81 ' O ' HD23 ' A' ' 4' ' ' LEU . 3.4 mmtp -147.16 116.91 7.13 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.027 -179.892 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.81 HD23 ' O ' ' A' ' 3' ' ' LYS . 1.1 mt -148.61 141.5 24.72 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.687 179.942 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 20.2 m -63.87 161.85 14.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.364 179.469 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' ASP . . . . . 0.493 ' O ' HD12 ' A' ' 10' ' ' ILE . 0.2 OUTLIER -59.0 -26.02 64.15 Favored 'General case' 0 N--CA 1.466 0.357 0 N-CA-C 110.003 -0.369 . . . . 0.0 110.003 179.461 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -75.37 -35.93 61.01 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.319 179.517 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -80.1 -36.2 35.75 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.762 179.529 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.455 HD21 HG13 ' A' ' 33' ' ' ILE . 27.3 tp -74.98 -45.37 42.55 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.903 -0.589 . . . . 0.0 110.87 179.902 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.769 HD11 HD21 ' A' ' 38' ' ' LEU . 60.2 mt -69.27 -35.82 69.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.598 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 24.5 mt-10 -62.2 -28.86 69.97 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 109.992 -0.373 . . . . 0.0 109.992 178.53 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 2.0 m -70.66 -45.28 65.41 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 121.122 0.487 . . . . 0.0 109.806 179.245 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.796 ' O ' HG23 ' A' ' 17' ' ' THR . 78.4 t80 -65.33 -40.6 93.9 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.743 -0.662 . . . . 0.0 109.953 179.083 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.456 ' CZ ' ' CG2' ' A' ' 10' ' ' ILE . 10.2 m-30 -69.66 -45.86 67.44 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.584 -0.734 . . . . 0.0 110.64 179.751 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -63.76 -45.48 89.61 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.583 179.518 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.421 ' HB1' ' HB3' ' A' ' 21' ' ' LEU . . . -62.19 -35.75 79.8 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.769 -179.612 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.796 HG23 ' O ' ' A' ' 13' ' ' TYR . 59.9 p -68.79 -32.34 71.99 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 120.915 0.388 . . . . 0.0 110.509 179.796 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -77.2 -45.07 27.84 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.551 -179.774 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' MET . . . . . 0.843 ' CE ' HD12 ' A' ' 21' ' ' LEU . 3.9 ptt? -83.45 -15.78 48.27 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 112.144 0.424 . . . . 0.0 112.144 -179.42 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 11.9 m-80 75.04 37.22 0.49 Allowed 'General case' 0 N--CA 1.463 0.207 0 CA-C-O 121.117 0.484 . . . . 0.0 109.939 -178.938 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.843 HD12 ' CE ' ' A' ' 19' ' ' MET . 2.7 tt -55.05 160.13 2.17 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.57 -0.741 . . . . 0.0 110.718 -179.927 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 22' ' ' ASN . . . . . 0.792 ' N ' HD23 ' A' ' 21' ' ' LEU . 30.8 t-20 -42.52 134.22 3.13 Favored 'General case' 0 N--CA 1.47 0.558 0 CA-C-O 120.982 0.42 . . . . 0.0 112.079 -179.661 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 3.8 tpt180 -54.98 -27.04 40.9 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.964 -0.562 . . . . 0.0 111.893 -179.355 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -68.14 -35.73 78.54 Favored 'General case' 0 C--N 1.327 -0.395 0 C-N-CA 121.005 -0.278 . . . . 0.0 111.02 -179.717 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 25' ' ' PHE . . . . . 0.763 ' CD2' HD11 ' A' ' 29' ' ' ILE . 3.3 t80 -75.23 -42.78 54.55 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 109.416 -0.587 . . . . 0.0 109.416 179.225 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 56.2 mt -60.92 -43.01 94.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 115.577 -0.738 . . . . 0.0 109.985 178.858 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -74.99 -32.99 61.8 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.349 179.573 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.746 HD21 ' HE2' ' A' ' 1' ' ' MET . 0.8 OUTLIER -67.87 -46.16 72.48 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.76 -0.655 . . . . 0.0 110.223 179.696 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.763 HD11 ' CD2' ' A' ' 25' ' ' PHE . 8.7 mt -69.35 -32.44 53.4 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.197 179.302 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.407 ' HB2' ' CE1' ' A' ' 13' ' ' TYR . 1.1 tt0 -76.63 -32.43 58.02 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.96 -0.563 . . . . 0.0 110.207 179.231 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 51.6 m-20 -70.55 -28.44 64.91 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.928 -0.578 . . . . 0.0 111.057 179.857 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 6.8 tt0 -80.5 -46.82 15.22 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 109.436 -0.579 . . . . 0.0 109.436 179.157 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.686 HG23 ' HB3' ' A' ' 38' ' ' LEU . 50.9 mt -64.04 -31.96 55.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-N 115.35 -0.841 . . . . 0.0 109.692 178.641 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 19.8 mmtt -70.57 -47.44 60.23 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.216 179.275 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -69.67 -23.46 63.46 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.573 178.919 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 6.7 mtp180 -83.37 6.17 20.88 Favored 'General case' 0 CA--C 1.533 0.304 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.948 179.827 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 3.3 t 60.91 34.15 19.63 Favored 'General case' 0 C--O 1.23 0.077 0 CA-C-O 121.075 0.464 . . . . 0.0 110.368 -179.661 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.774 ' O ' HG22 ' A' ' 41' ' ' ILE . 9.0 tp -123.2 15.19 9.8 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.658 -0.701 . . . . 0.0 111.664 -179.383 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 39' ' ' GLY . . . . . 0.438 ' HA2' HG12 ' A' ' 42' ' ' ILE . . . -58.83 -25.93 59.77 Favored Glycine 0 C--N 1.338 0.648 0 C-N-CA 120.183 -1.008 . . . . 0.0 111.96 179.551 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 26.5 p80 -60.76 -24.48 65.78 Favored 'General case' 0 C--N 1.328 -0.338 0 O-C-N 122.585 -0.362 . . . . 0.0 110.526 178.916 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.774 HG22 ' O ' ' A' ' 38' ' ' LEU . 6.2 tp -74.51 -31.66 28.19 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.364 0 CA-C-O 121.059 0.457 . . . . 0.0 110.863 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.464 ' CD1' HG22 ' A' ' 44' ' ' VAL . 15.5 pt -93.15 154.06 3.27 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 CA-C-N 115.725 -0.67 . . . . 0.0 111.309 -179.879 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 29.0 t -88.39 74.86 8.55 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.026 -0.534 . . . . 0.0 109.627 178.775 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.464 HG22 ' CD1' ' A' ' 42' ' ' ILE . 1.6 t -75.86 156.86 5.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 115.791 -0.641 . . . . 0.0 110.949 -178.709 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 1.3 m -116.99 91.52 3.6 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.836 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.249 1.039 0 CA-C-O 118.209 -0.901 . . . . 0.0 110.834 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.689 ' N ' HD11 ' A' ' 4' ' ' LEU . 5.7 tpp . . . . . 0 N--CA 1.486 1.355 0 CA-C-O 120.749 0.309 . . . . 0.0 111.053 . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 4.7 ttp180 -83.66 -51.17 7.5 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.859 -179.559 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' LYS . . . . . 0.762 ' O ' HD23 ' A' ' 4' ' ' LEU . 6.7 mttt -105.61 89.35 3.07 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.765 0.317 . . . . 0.0 111.621 -179.235 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.762 HD23 ' O ' ' A' ' 3' ' ' LYS . 0.9 OUTLIER -151.12 141.4 22.33 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.832 179.346 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.554 ' OG ' HD23 ' A' ' 8' ' ' LEU . 2.7 p -85.48 161.57 19.32 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.107 -0.497 . . . . 0.0 109.91 179.269 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 6' ' ' ASP . . . . . 0.512 ' O ' HD12 ' A' ' 10' ' ' ILE . 0.5 OUTLIER -58.77 -26.18 63.78 Favored 'General case' 0 N--CA 1.466 0.354 0 C-N-CA 120.711 -0.395 . . . . 0.0 110.072 179.539 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -75.52 -37.62 59.97 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.381 179.426 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.554 HD23 ' OG ' ' A' ' 5' ' ' SER . 4.4 mm? -80.99 -34.46 32.95 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.872 -0.603 . . . . 0.0 110.668 179.482 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.522 HD21 HG13 ' A' ' 33' ' ' ILE . 20.2 tp -75.18 -43.71 50.69 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.877 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.794 HD11 HD21 ' A' ' 38' ' ' LEU . 60.4 mt -71.58 -34.4 52.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.53 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -63.69 -28.66 70.05 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.174 178.955 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' SER . . . . . 0.564 ' OG ' HG21 ' A' ' 29' ' ' ILE . 77.6 p -74.67 -43.03 57.3 Favored 'General case' 0 C--N 1.331 -0.2 0 N-CA-C 109.722 -0.473 . . . . 0.0 109.722 179.389 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.703 ' O ' HG23 ' A' ' 17' ' ' THR . 74.7 t80 -66.53 -38.83 87.99 Favored 'General case' 0 C--N 1.331 -0.211 0 N-CA-C 109.558 -0.534 . . . . 0.0 109.558 178.749 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.461 ' CE1' HG23 ' A' ' 10' ' ' ILE . 6.4 m-30 -72.0 -46.85 55.7 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.522 -0.763 . . . . 0.0 110.309 179.704 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 2.8 mmpt? -64.11 -45.1 90.12 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.408 179.337 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.545 ' HB1' ' HB3' ' A' ' 21' ' ' LEU . . . -63.15 -38.18 90.15 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.773 -0.648 . . . . 0.0 111.672 -179.627 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.703 HG23 ' O ' ' A' ' 13' ' ' TYR . 24.7 p -66.17 -32.48 73.94 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.859 0.361 . . . . 0.0 110.555 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 5.0 mt-10 -75.35 -46.33 33.8 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.508 -179.718 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' MET . . . . . 0.766 ' HE3' HD12 ' A' ' 21' ' ' LEU . 3.7 ptt? -82.1 -14.19 56.13 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.217 -0.447 . . . . 0.0 112.187 -179.436 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 1.2 m-20 74.56 39.43 0.45 Allowed 'General case' 0 N--CA 1.461 0.123 0 CA-C-O 121.197 0.523 . . . . 0.0 110.084 -178.839 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.804 HD22 ' HB3' ' A' ' 25' ' ' PHE . 2.8 tt -55.57 159.3 2.96 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 115.479 -0.782 . . . . 0.0 110.448 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 22' ' ' ASN . . . . . 0.798 ' N ' HD23 ' A' ' 21' ' ' LEU . 50.0 t30 -42.14 132.52 3.27 Favored 'General case' 0 N--CA 1.471 0.599 0 N-CA-C 112.088 0.403 . . . . 0.0 112.088 -179.757 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 2.2 tpp180 -54.62 -27.14 37.36 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.956 -0.565 . . . . 0.0 111.836 -179.342 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 1.4 t0 -68.8 -37.03 78.96 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.738 0.304 . . . . 0.0 110.952 -179.86 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' PHE . . . . . 0.804 ' HB3' HD22 ' A' ' 21' ' ' LEU . 5.9 t80 -74.99 -41.54 59.3 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 109.5 -0.555 . . . . 0.0 109.5 179.219 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 59.3 mt -62.18 -42.89 96.9 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 115.561 -0.745 . . . . 0.0 109.955 178.929 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -73.51 -33.43 64.77 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.005 0.431 . . . . 0.0 110.199 179.296 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.634 HD23 ' N ' ' A' ' 29' ' ' ILE . 0.4 OUTLIER -65.51 -47.71 75.04 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.727 -0.669 . . . . 0.0 109.982 179.367 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.758 HD11 ' CD2' ' A' ' 25' ' ' PHE . 7.3 mt -68.13 -32.11 54.62 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.376 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.207 179.248 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -75.96 -33.31 59.78 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.087 179.22 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 52.6 m-20 -68.2 -29.14 67.92 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.872 -0.603 . . . . 0.0 110.949 179.69 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -80.46 -47.17 14.72 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 109.464 -0.569 . . . . 0.0 109.464 179.077 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.715 HG23 ' HB3' ' A' ' 38' ' ' LEU . 48.5 mt -63.66 -31.96 55.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-N 115.307 -0.86 . . . . 0.0 109.654 178.632 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 14.3 mttt -71.51 -47.67 53.81 Favored 'General case' 0 N--CA 1.455 -0.189 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.217 179.462 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 6.2 ttt180 -71.0 -23.44 62.19 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.683 178.96 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 78.6 mtt180 -83.03 5.46 22.19 Favored 'General case' 0 CA--C 1.534 0.351 0 CA-C-N 116.33 -0.396 . . . . 0.0 111.937 179.876 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 47.7 t 61.42 35.12 17.91 Favored 'General case' 0 C--O 1.231 0.098 0 CA-C-O 121.083 0.468 . . . . 0.0 110.407 -179.922 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.794 HD21 HD11 ' A' ' 10' ' ' ILE . 8.2 tp -123.14 25.17 8.58 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.725 -0.671 . . . . 0.0 110.687 -179.592 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -69.02 -9.56 60.18 Favored Glycine 0 C--N 1.336 0.572 0 C-N-CA 120.982 -0.627 . . . . 0.0 112.963 179.815 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 1.9 p-80 -81.7 -29.15 33.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 117.363 0.582 . . . . 0.0 109.889 178.944 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.744 HG22 ' O ' ' A' ' 38' ' ' LEU . 6.2 tp -64.55 -33.07 60.6 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.303 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.207 179.316 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.842 HD12 HG21 ' A' ' 44' ' ' VAL . 12.1 pt -81.32 154.3 4.19 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.196 0 CA-C-N 115.24 -0.891 . . . . 0.0 110.94 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 48.2 t -75.69 64.16 1.69 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.131 0.491 . . . . 0.0 110.026 179.405 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.842 HG21 HD12 ' A' ' 42' ' ' ILE . 38.1 t -122.88 147.59 27.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 115.732 -0.667 . . . . 0.0 111.252 -179.139 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 1.4 p -107.31 89.39 2.98 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.577 179.485 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 72.2 p . . . . . 0 C--O 1.248 0.975 0 CA-C-O 118.287 -0.863 . . . . 0.0 110.973 179.971 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.486 ' H1 ' HD11 ' A' ' 4' ' ' LEU . 17.7 mmt . . . . . 0 N--CA 1.489 1.475 0 CA-C-O 120.874 0.368 . . . . 0.0 111.195 . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 56.2 ttt180 -83.04 -51.22 7.74 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.053 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' LYS . . . . . 0.623 ' O ' HD23 ' A' ' 4' ' ' LEU . 34.7 tttm -160.63 100.04 1.29 Allowed 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.046 -179.92 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.623 HD23 ' O ' ' A' ' 3' ' ' LYS . 3.6 mt -128.26 145.58 51.0 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.746 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 58.0 m -59.72 160.67 7.1 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.333 179.282 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -54.14 -29.29 44.64 Favored 'General case' 0 N--CA 1.466 0.345 0 CA-C-O 120.967 0.413 . . . . 0.0 110.136 179.585 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -68.83 -37.03 78.9 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.378 179.453 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -82.25 -37.48 25.86 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.046 179.576 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 18.8 tp -75.22 -37.54 61.06 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.223 -179.816 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.699 HD11 HD21 ' A' ' 38' ' ' LEU . 62.8 mt -75.83 -37.35 34.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-O 120.837 0.351 . . . . 0.0 110.326 179.8 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 32.1 mt-10 -62.22 -29.2 70.22 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.211 178.921 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' SER . . . . . 0.475 ' OG ' HG21 ' A' ' 29' ' ' ILE . 95.7 p -74.71 -43.76 53.43 Favored 'General case' 0 C--N 1.331 -0.214 0 N-CA-C 109.826 -0.435 . . . . 0.0 109.826 179.26 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.645 ' O ' HG23 ' A' ' 17' ' ' THR . 59.8 t80 -68.19 -37.78 81.29 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.823 -0.626 . . . . 0.0 109.857 178.945 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.46 ' CZ ' ' CG2' ' A' ' 10' ' ' ILE . 8.1 m-30 -73.92 -41.37 62.17 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.698 -0.683 . . . . 0.0 110.481 179.835 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 1.5 mmpt? -64.94 -48.68 73.22 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.649 179.323 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.69 ' HB1' ' HB3' ' A' ' 21' ' ' LEU . . . -64.18 -35.21 80.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.935 -0.575 . . . . 0.0 111.759 -179.493 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.645 HG23 ' O ' ' A' ' 13' ' ' TYR . 16.2 p -66.21 -32.71 74.3 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.895 0.379 . . . . 0.0 110.512 179.791 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -74.86 -48.69 23.64 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.298 -179.884 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' MET . . . . . 0.72 ' HE3' HD12 ' A' ' 21' ' ' LEU . 3.7 ptt? -80.35 -12.02 59.64 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.032 -0.531 . . . . 0.0 112.359 -179.472 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER 72.51 42.34 0.53 Allowed 'General case' 0 N--CA 1.463 0.224 0 CA-C-O 121.22 0.533 . . . . 0.0 109.966 -179.004 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.829 HD22 ' HB3' ' A' ' 25' ' ' PHE . 2.9 tt -57.11 158.3 5.26 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.499 -0.773 . . . . 0.0 110.52 -179.894 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 22' ' ' ASN . . . . . 0.801 ' N ' HD23 ' A' ' 21' ' ' LEU . 61.8 t30 -42.97 136.66 2.65 Favored 'General case' 0 N--CA 1.471 0.587 0 N-CA-C 112.159 0.429 . . . . 0.0 112.159 -179.645 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.81 -32.02 63.18 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.966 -0.561 . . . . 0.0 111.823 -179.354 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -65.32 -35.59 81.46 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.718 0.294 . . . . 0.0 111.202 -179.51 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' PHE . . . . . 0.912 ' CD2' HD11 ' A' ' 29' ' ' ILE . 8.3 t80 -74.79 -44.53 49.05 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 109.263 -0.643 . . . . 0.0 109.263 179.184 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 52.5 mt -61.07 -46.14 97.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 115.527 -0.76 . . . . 0.0 110.092 178.851 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 5.2 tt0 -69.22 -32.64 72.02 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.999 0.428 . . . . 0.0 110.07 179.303 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.605 HD23 ' N ' ' A' ' 29' ' ' ILE . 0.4 OUTLIER -66.92 -46.99 73.1 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.706 -0.679 . . . . 0.0 109.812 179.223 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.912 HD11 ' CD2' ' A' ' 25' ' ' PHE . 8.8 mt -68.81 -32.13 53.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.014 179.085 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.444 ' OE2' HG13 ' A' ' 44' ' ' VAL . 8.7 tt0 -76.45 -32.25 58.32 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.311 179.321 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 53.4 m-20 -67.54 -34.74 77.7 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.891 179.79 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 7.2 tt0 -77.03 -46.06 25.04 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 109.353 -0.61 . . . . 0.0 109.353 179.146 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.624 HG23 HD23 ' A' ' 38' ' ' LEU . 85.2 mt -61.2 -31.93 51.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 115.381 -0.827 . . . . 0.0 109.691 178.599 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 11.2 mttt -71.79 -49.41 39.07 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.452 179.647 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.75 -24.22 62.57 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.627 179.377 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -83.11 5.89 21.0 Favored 'General case' 0 CA--C 1.532 0.276 0 N-CA-C 112.159 0.429 . . . . 0.0 112.159 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 23.1 t 61.88 32.75 17.89 Favored 'General case' 0 C--O 1.231 0.11 0 CA-C-O 121.23 0.538 . . . . 0.0 110.285 -179.415 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.699 HD21 HD11 ' A' ' 10' ' ' ILE . 3.5 tp -120.87 17.25 11.81 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.523 -0.762 . . . . 0.0 110.995 -179.783 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -71.36 -7.31 63.6 Favored Glycine 0 C--N 1.337 0.625 0 C-N-CA 120.567 -0.825 . . . . 0.0 112.807 179.524 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 7.2 p80 -81.26 -29.38 34.4 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 117.238 0.519 . . . . 0.0 110.247 179.348 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.62 HG12 HD13 ' A' ' 10' ' ' ILE . 5.6 tp -67.2 -36.36 76.6 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.331 0 CA-C-O 121.423 0.63 . . . . 0.0 110.014 179.823 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.75 HD12 HG22 ' A' ' 44' ' ' VAL . 16.4 pt -82.32 160.73 3.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 114.937 -1.029 . . . . 0.0 111.283 -179.814 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 31.3 t -96.06 74.13 3.0 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 109.638 -0.504 . . . . 0.0 109.638 178.751 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.75 HG22 HD12 ' A' ' 42' ' ' ILE . 1.6 t -78.09 141.13 15.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 115.738 -0.664 . . . . 0.0 110.967 -178.64 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 14.3 t -99.72 90.91 4.62 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.865 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 10.8 m . . . . . 0 C--O 1.249 1.066 0 CA-C-O 118.234 -0.888 . . . . 0.0 110.912 179.99 . . . . . . . . 0 0 . 1 . 021 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.642 ' SD ' HD12 ' A' ' 4' ' ' LEU . 17.2 mmt . . . . . 0 N--CA 1.486 1.357 0 CA-C-O 120.809 0.338 . . . . 0.0 111.087 . . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 4.0 ttt-85 -83.15 -51.53 7.41 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.088 -179.916 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 3' ' ' LYS . . . . . 0.596 ' O ' HD23 ' A' ' 4' ' ' LEU . 5.3 tppt? -178.5 89.1 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.963 -179.998 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.642 HD12 ' SD ' ' A' ' 1' ' ' MET . 5.5 mt -131.02 144.73 51.68 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.787 -179.947 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 57.9 m -61.42 163.34 6.82 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.543 179.486 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -57.46 -24.59 56.61 Favored 'General case' 0 N--CA 1.464 0.274 0 CA-C-O 120.792 0.33 . . . . 0.0 110.344 179.43 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -72.68 -36.82 67.97 Favored 'General case' 0 N--CA 1.454 -0.246 0 CA-C-O 120.912 0.387 . . . . 0.0 110.289 179.474 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -81.76 -34.43 30.42 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.504 179.332 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.552 HD12 HG23 ' A' ' 29' ' ' ILE . 38.8 tp -75.44 -45.55 38.02 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.918 179.738 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.693 HD13 HG12 ' A' ' 41' ' ' ILE . 86.7 mt -68.93 -37.82 77.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.832 -179.808 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -60.91 -28.69 69.11 Favored 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 109.798 -0.445 . . . . 0.0 109.798 178.35 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 12' ' ' SER . . . . . 0.465 ' HB2' HG21 ' A' ' 29' ' ' ILE . 13.5 m -68.82 -47.65 65.52 Favored 'General case' 0 N--CA 1.455 -0.177 0 CA-C-O 121.069 0.461 . . . . 0.0 109.855 179.21 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.565 ' O ' HG23 ' A' ' 17' ' ' THR . 67.8 t80 -64.61 -36.25 83.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.353 179.212 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.457 ' CZ ' ' CG2' ' A' ' 10' ' ' ILE . 6.9 m-30 -74.61 -41.92 59.58 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.571 -0.741 . . . . 0.0 110.525 -179.955 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.453 ' HB3' ' HE1' ' A' ' 19' ' ' MET . 1.8 mtpt -67.05 -52.8 37.69 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.158 179.296 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.531 ' HA ' ' HE2' ' A' ' 19' ' ' MET . . . -59.44 -30.82 68.77 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.795 -0.639 . . . . 0.0 111.552 -179.905 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.565 HG23 ' O ' ' A' ' 13' ' ' TYR . 5.3 p -71.86 -32.35 67.4 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 109.92 -0.4 . . . . 0.0 109.92 179.259 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 13.3 mt-10 -76.91 -51.63 10.86 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.943 -0.571 . . . . 0.0 111.088 179.49 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 19' ' ' MET . . . . . 0.57 ' CE ' HD12 ' A' ' 21' ' ' LEU . 0.1 OUTLIER -77.72 -15.78 58.9 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.971 -179.92 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 11.4 m120 73.32 42.89 0.4 Allowed 'General case' 0 N--CA 1.464 0.258 0 CA-C-O 121.17 0.509 . . . . 0.0 110.387 -179.477 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.802 HD23 ' N ' ' A' ' 22' ' ' ASN . 2.6 tt -58.67 159.31 6.79 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.747 -0.66 . . . . 0.0 110.428 179.932 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 22' ' ' ASN . . . . . 0.802 ' N ' HD23 ' A' ' 21' ' ' LEU . 39.2 t-20 -40.9 138.16 1.09 Allowed 'General case' 0 N--CA 1.472 0.631 0 N-CA-C 112.3 0.481 . . . . 0.0 112.3 -179.613 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 3.3 ttt180 -55.21 -30.71 60.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.844 -0.616 . . . . 0.0 111.876 -179.338 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 43.3 m-20 -66.18 -33.91 76.84 Favored 'General case' 0 C--N 1.326 -0.431 0 C-N-CA 121.009 -0.277 . . . . 0.0 111.106 -179.523 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 25' ' ' PHE . . . . . 0.789 ' CB ' HD22 ' A' ' 21' ' ' LEU . 2.5 t80 -75.39 -45.12 41.07 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 109.518 -0.549 . . . . 0.0 109.518 179.289 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 45.7 mt -61.71 -42.53 94.69 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 115.562 -0.745 . . . . 0.0 110.029 178.989 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -73.59 -33.54 64.66 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.228 179.514 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.589 HD23 ' N ' ' A' ' 29' ' ' ILE . 0.7 OUTLIER -67.32 -46.73 72.62 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.782 -0.645 . . . . 0.0 110.075 179.572 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.589 ' N ' HD23 ' A' ' 28' ' ' LEU . 10.9 mt -68.9 -32.53 55.01 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.055 179.08 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -76.51 -33.18 58.62 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.326 179.338 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 13.2 m-20 -69.7 -28.5 65.89 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.895 -0.593 . . . . 0.0 111.122 179.991 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 20.0 tp10 -80.73 -46.74 15.01 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 109.424 -0.584 . . . . 0.0 109.424 179.236 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.694 HG23 ' HB3' ' A' ' 38' ' ' LEU . 46.8 mt -64.56 -32.59 58.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-N 115.355 -0.839 . . . . 0.0 109.71 178.699 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 16.9 mmtt -69.56 -45.25 69.14 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.237 179.436 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.85 -24.04 62.44 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.477 178.729 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 3.4 mtt-85 -83.78 7.1 18.91 Favored 'General case' 0 CA--C 1.534 0.355 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.961 179.888 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 10.3 t 58.78 34.6 23.84 Favored 'General case' 0 C--O 1.232 0.147 0 CA-C-O 120.961 0.41 . . . . 0.0 110.488 -179.639 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.771 ' O ' HG22 ' A' ' 41' ' ' ILE . 8.6 tp -122.88 15.47 10.06 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.753 -0.658 . . . . 0.0 111.514 -179.457 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 39' ' ' GLY . . . . . 0.427 ' HA2' HG12 ' A' ' 42' ' ' ILE . . . -59.23 -24.57 59.0 Favored Glycine 0 C--N 1.339 0.726 0 C-N-CA 120.313 -0.946 . . . . 0.0 112.062 179.682 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 29.6 p80 -62.58 -26.69 68.73 Favored 'General case' 0 C--N 1.327 -0.388 0 O-C-N 122.46 -0.435 . . . . 0.0 110.392 179.034 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.771 HG22 ' O ' ' A' ' 38' ' ' LEU . 5.6 tp -71.68 -30.34 37.87 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.439 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.769 179.96 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.454 ' CD1' HG22 ' A' ' 44' ' ' VAL . 17.5 pt -94.77 156.57 3.14 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.174 0 CA-C-N 115.714 -0.675 . . . . 0.0 111.43 -179.663 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 2.2 t -91.24 72.88 6.23 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 109.474 -0.565 . . . . 0.0 109.474 178.658 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.454 HG22 ' CD1' ' A' ' 42' ' ' ILE . 1.6 t -71.39 139.51 19.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 115.727 -0.67 . . . . 0.0 110.826 -178.868 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 26.7 m -69.39 90.11 0.51 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.719 179.92 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 14.7 t . . . . . 0 C--O 1.25 1.096 0 CA-C-O 118.213 -0.898 . . . . 0.0 110.818 179.953 . . . . . . . . 0 0 . 1 . 022 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.754 ' HE2' HD21 ' A' ' 28' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.399 0 CA-C-O 120.782 0.325 . . . . 0.0 111.128 . . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 10.3 mtm105 -76.53 -51.13 12.29 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.939 -179.88 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 3' ' ' LYS . . . . . 0.74 ' O ' HD23 ' A' ' 4' ' ' LEU . 0.4 OUTLIER -157.23 114.28 3.04 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.957 179.966 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.74 HD23 ' O ' ' A' ' 3' ' ' LYS . 2.8 mt -144.6 143.96 31.04 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.613 179.899 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 14.3 m -59.99 159.76 8.87 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.439 179.625 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -56.68 -25.26 53.46 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-O 120.832 0.349 . . . . 0.0 110.51 179.62 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -74.55 -36.05 63.09 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.349 179.548 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -79.35 -37.35 37.68 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.901 -0.59 . . . . 0.0 110.824 179.533 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.537 HD21 HG13 ' A' ' 33' ' ' ILE . 36.5 tp -75.15 -45.26 41.99 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.848 -0.615 . . . . 0.0 111.155 -179.88 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.679 HD13 HG12 ' A' ' 41' ' ' ILE . 72.4 mt -69.19 -34.35 62.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.678 -179.987 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -62.3 -28.81 69.99 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.146 178.645 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -72.9 -45.83 56.01 Favored 'General case' 0 C--N 1.331 -0.231 0 N-CA-C 109.8 -0.444 . . . . 0.0 109.8 179.45 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.737 ' O ' HG23 ' A' ' 17' ' ' THR . 63.0 t80 -65.73 -37.97 87.86 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.929 -0.578 . . . . 0.0 109.994 178.975 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.452 ' CZ ' ' CG2' ' A' ' 10' ' ' ILE . 8.1 m-30 -72.6 -42.73 64.19 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.676 -0.693 . . . . 0.0 110.455 179.699 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 5.9 mmpt? -66.92 -47.73 70.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.341 179.175 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.4 ' HB1' ' HB3' ' A' ' 21' ' ' LEU . . . -59.48 -35.12 73.5 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.85 -0.614 . . . . 0.0 111.551 -179.855 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.737 HG23 ' O ' ' A' ' 13' ' ' TYR . 35.7 p -70.24 -32.45 70.31 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.904 0.383 . . . . 0.0 110.41 179.691 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -78.2 -44.59 25.31 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.959 -0.564 . . . . 0.0 111.581 -179.86 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 19' ' ' MET . . . . . 0.875 ' CE ' HD12 ' A' ' 21' ' ' LEU . 3.9 ptt? -83.61 -16.02 46.8 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 112.185 0.439 . . . . 0.0 112.185 -179.396 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 9.9 m-80 75.16 36.05 0.55 Allowed 'General case' 0 N--CA 1.464 0.241 0 CA-C-O 121.154 0.502 . . . . 0.0 110.033 -178.986 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.875 HD12 ' CE ' ' A' ' 19' ' ' MET . 2.9 tt -55.36 160.03 2.46 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.533 -0.758 . . . . 0.0 110.622 -179.995 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 22' ' ' ASN . . . . . 0.801 ' N ' HD23 ' A' ' 21' ' ' LEU . 52.8 t30 -42.93 133.58 3.62 Favored 'General case' 0 N--CA 1.469 0.479 0 CA-C-O 120.948 0.404 . . . . 0.0 112.062 -179.788 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 13.4 tpp180 -55.08 -24.98 28.17 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.854 -179.375 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 17.2 m-20 -68.45 -35.98 78.36 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.709 0.29 . . . . 0.0 111.047 -179.72 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 25' ' ' PHE . . . . . 0.683 ' HB3' HD22 ' A' ' 21' ' ' LEU . 2.4 t80 -75.38 -41.78 55.51 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 109.464 -0.569 . . . . 0.0 109.464 179.18 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 57.1 mt -61.66 -44.56 98.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 115.62 -0.718 . . . . 0.0 109.846 178.775 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 5.3 tt0 -72.53 -33.4 66.84 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.21 179.37 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.754 HD21 ' HE2' ' A' ' 1' ' ' MET . 0.8 OUTLIER -67.13 -46.15 74.98 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.745 -0.662 . . . . 0.0 110.148 179.474 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.662 HD11 ' CD2' ' A' ' 25' ' ' PHE . 5.8 mt -69.16 -32.41 53.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-O 120.943 0.402 . . . . 0.0 110.143 179.144 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.413 ' HB2' ' CE1' ' A' ' 13' ' ' TYR . 3.3 tt0 -76.81 -32.68 57.78 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.378 179.2 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 4.7 m-20 -69.06 -30.95 69.39 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.862 179.967 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 15.5 tp10 -79.88 -45.23 19.01 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 109.415 -0.587 . . . . 0.0 109.415 179.157 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.67 HG21 ' CG2' ' A' ' 42' ' ' ILE . 71.0 mt -63.99 -35.16 72.58 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-N 115.381 -0.827 . . . . 0.0 109.445 178.565 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 20.6 mttt -66.35 -47.2 74.2 Favored 'General case' 0 N--CA 1.453 -0.311 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.052 179.607 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.02 -25.01 62.48 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.669 179.18 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -80.92 3.09 23.96 Favored 'General case' 0 CA--C 1.532 0.266 0 CA-C-N 116.344 -0.389 . . . . 0.0 112.001 179.896 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 9.0 t 61.6 33.55 18.19 Favored 'General case' 0 CA--C 1.523 -0.074 0 CA-C-O 121.062 0.458 . . . . 0.0 110.333 -179.619 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.802 ' O ' HG22 ' A' ' 41' ' ' ILE . 8.2 tp -123.15 18.95 9.95 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.722 -0.672 . . . . 0.0 111.084 -179.663 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -60.22 -29.54 68.85 Favored Glycine 0 C--N 1.336 0.528 0 C-N-CA 120.619 -0.8 . . . . 0.0 111.741 179.22 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 3.1 p-80 -57.84 -28.31 63.99 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.872 0.368 . . . . 0.0 110.521 179.193 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.802 HG22 ' O ' ' A' ' 38' ' ' LEU . 5.9 tp -71.85 -30.21 36.57 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.36 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.334 179.645 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.67 ' CG2' HG21 ' A' ' 33' ' ' ILE . 0.7 OUTLIER -90.96 -27.01 5.02 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.207 0 CA-C-N 115.774 -0.648 . . . . 0.0 111.126 -179.774 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 3.9 t 73.09 70.04 0.12 Allowed 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 115.779 -0.646 . . . . 0.0 109.597 -178.411 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.497 HG22 HD11 ' A' ' 42' ' ' ILE . 1.7 t -71.34 152.51 8.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 115.606 -0.725 . . . . 0.0 110.83 -179.05 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 2.3 p -82.96 90.56 7.01 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.768 179.852 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 70.7 m . . . . . 0 C--O 1.25 1.098 0 CA-C-O 118.239 -0.886 . . . . 0.0 110.892 -179.99 . . . . . . . . 0 0 . 1 . 023 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.784 ' HE2' HD21 ' A' ' 28' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.376 0 CA-C-O 120.87 0.366 . . . . 0.0 111.158 . . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -83.65 -32.93 25.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.447 -179.803 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 3' ' ' LYS . . . . . 0.765 ' O ' HD23 ' A' ' 4' ' ' LEU . 0.3 OUTLIER -87.19 70.57 10.14 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.941 0.401 . . . . 0.0 111.471 -179.379 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.765 HD23 ' O ' ' A' ' 3' ' ' LYS . 3.1 mt -148.95 144.78 27.03 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.889 179.785 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 27.3 m -79.93 162.77 24.77 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.21 179.298 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 6' ' ' ASP . . . . . 0.545 ' O ' HD12 ' A' ' 10' ' ' ILE . 0.2 OUTLIER -58.43 -26.76 63.66 Favored 'General case' 0 N--CA 1.466 0.354 0 CA-C-O 120.939 0.4 . . . . 0.0 109.997 179.396 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -75.54 -36.34 60.49 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.425 179.531 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -81.77 -33.69 30.78 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.599 179.472 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.526 HD21 HG13 ' A' ' 33' ' ' ILE . 11.6 tp -75.27 -45.31 40.78 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.736 -0.665 . . . . 0.0 110.62 179.77 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.793 HD11 ' CD2' ' A' ' 38' ' ' LEU . 54.7 mt -70.29 -34.06 56.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.339 179.881 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 16.5 mm-40 -62.64 -28.51 69.96 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.17 178.627 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 3.7 m -73.26 -46.84 47.64 Favored 'General case' 0 C--N 1.331 -0.198 0 N-CA-C 109.669 -0.493 . . . . 0.0 109.669 179.182 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.771 ' O ' HG23 ' A' ' 17' ' ' THR . 58.1 t80 -63.51 -38.3 90.59 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.815 -0.63 . . . . 0.0 109.831 178.899 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.456 ' CE1' HG23 ' A' ' 10' ' ' ILE . 6.0 m-30 -73.06 -46.34 52.26 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.574 -0.739 . . . . 0.0 110.335 179.736 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 10.3 mmtt -64.91 -43.61 92.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.844 -0.617 . . . . 0.0 110.496 179.369 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.546 ' HB1' ' HB3' ' A' ' 21' ' ' LEU . . . -63.04 -37.0 85.45 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.805 -0.634 . . . . 0.0 111.595 -179.626 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.771 HG23 ' O ' ' A' ' 13' ' ' TYR . 39.5 p -67.78 -32.48 73.09 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.904 0.383 . . . . 0.0 110.359 179.707 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -75.07 -46.59 33.71 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.483 -179.874 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 19' ' ' MET . . . . . 0.773 ' CE ' HD12 ' A' ' 21' ' ' LEU . 3.8 ptt? -82.4 -14.73 54.72 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.161 -0.472 . . . . 0.0 112.175 -179.461 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 4.3 m120 74.98 39.06 0.41 Allowed 'General case' 0 N--CA 1.463 0.184 0 CA-C-O 121.165 0.507 . . . . 0.0 110.002 -178.885 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.821 HD23 ' N ' ' A' ' 22' ' ' ASN . 3.2 tt -56.61 158.0 4.85 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.513 -0.767 . . . . 0.0 110.608 -179.855 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 22' ' ' ASN . . . . . 0.821 ' N ' HD23 ' A' ' 21' ' ' LEU . 19.1 t-20 -42.88 133.5 3.61 Favored 'General case' 0 N--CA 1.469 0.523 0 CA-C-O 120.939 0.4 . . . . 0.0 112.038 -179.837 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -54.64 -27.77 42.12 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.949 -0.569 . . . . 0.0 111.798 -179.419 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 1.2 t0 -66.24 -37.97 86.77 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 120.702 0.286 . . . . 0.0 111.005 -179.602 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 25' ' ' PHE . . . . . 0.769 ' HB3' HD22 ' A' ' 21' ' ' LEU . 2.6 t80 -74.83 -40.6 60.96 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 109.317 -0.623 . . . . 0.0 109.317 179.161 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 58.4 mt -62.58 -46.03 97.37 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-N 115.549 -0.751 . . . . 0.0 109.808 178.82 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 4.6 tt0 -70.83 -32.75 69.9 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.23 179.425 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.784 HD21 ' HE2' ' A' ' 1' ' ' MET . 0.7 OUTLIER -67.69 -46.68 71.6 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.059 179.524 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.666 HD11 ' CD2' ' A' ' 25' ' ' PHE . 6.0 mt -69.44 -32.29 52.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.012 179.161 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.407 ' HB2' ' CE1' ' A' ' 13' ' ' TYR . 5.8 tt0 -76.51 -32.82 58.51 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.186 179.189 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 7.9 m-20 -69.06 -29.26 67.35 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.912 179.684 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 3.9 tp10 -80.26 -44.56 19.44 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 109.573 -0.528 . . . . 0.0 109.573 179.152 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.668 HG23 ' HB3' ' A' ' 38' ' ' LEU . 49.0 mt -64.4 -33.56 63.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-N 115.371 -0.832 . . . . 0.0 109.575 178.768 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 10.7 mttt -69.26 -47.54 64.35 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.177 179.475 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -71.0 -24.92 62.47 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.671 179.102 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 55.3 mtt180 -81.02 3.76 21.98 Favored 'General case' 0 CA--C 1.533 0.318 0 CA-C-N 116.25 -0.432 . . . . 0.0 112.044 179.961 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 3.3 t 61.48 33.81 18.36 Favored 'General case' 0 C--O 1.232 0.146 0 CA-C-O 121.11 0.481 . . . . 0.0 110.31 -179.585 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.808 ' O ' HG22 ' A' ' 41' ' ' ILE . 8.8 tp -121.98 23.98 9.76 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.789 -179.568 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 39' ' ' GLY . . . . . 0.403 ' HA2' HG12 ' A' ' 42' ' ' ILE . . . -64.61 -22.06 67.59 Favored Glycine 0 C--N 1.335 0.514 0 C-N-CA 120.89 -0.672 . . . . 0.0 112.405 179.585 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 18.3 p-80 -67.45 -30.32 70.02 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.887 0.375 . . . . 0.0 110.228 179.497 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.808 HG22 ' O ' ' A' ' 38' ' ' LEU . 6.0 tp -66.01 -33.08 61.14 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.363 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.302 179.76 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 1.0 HD11 HG22 ' A' ' 44' ' ' VAL . 47.2 pt -93.61 -30.76 4.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 115.428 -0.805 . . . . 0.0 111.05 179.807 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 5.0 t 73.62 72.59 0.12 Allowed 'General case' 0 N--CA 1.452 -0.34 0 CA-C-N 115.333 -0.849 . . . . 0.0 109.003 -177.887 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 1.0 HG22 HD11 ' A' ' 42' ' ' ILE . 1.5 t -71.17 141.46 16.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 115.58 -0.736 . . . . 0.0 110.702 -178.575 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 1.2 m -98.54 91.04 4.97 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.841 179.962 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 70.5 m . . . . . 0 C--O 1.249 1.054 0 CA-C-O 118.241 -0.885 . . . . 0.0 110.852 179.984 . . . . . . . . 0 0 . 1 . 024 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.784 ' HB3' HD21 ' A' ' 4' ' ' LEU . 1.5 mtm . . . . . 0 N--CA 1.486 1.361 0 CA-C-O 120.97 0.414 . . . . 0.0 111.097 . . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 17.6 mtp180 -83.55 -42.8 16.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.441 -179.701 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 11.8 ttmt -68.77 78.84 0.3 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.408 -179.43 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.784 HD21 ' HB3' ' A' ' 1' ' ' MET . 0.3 OUTLIER 179.9 154.57 0.55 Allowed 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.29 -0.413 . . . . 0.0 111.132 179.747 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -82.9 163.32 21.18 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.297 179.303 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 6' ' ' ASP . . . . . 0.411 ' HB3' ' CD2' ' A' ' 38' ' ' LEU . 0.9 OUTLIER -57.79 -25.15 60.15 Favored 'General case' 0 N--CA 1.466 0.357 0 CA-C-O 120.831 0.348 . . . . 0.0 110.289 179.513 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -73.75 -36.63 65.15 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 121.008 0.433 . . . . 0.0 110.18 179.468 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -81.71 -33.6 31.06 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.398 179.199 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.763 ' HB2' HD13 ' A' ' 4' ' ' LEU . 18.1 tp -75.06 -47.02 30.94 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.694 -0.685 . . . . 0.0 110.567 179.712 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.753 HD13 HG12 ' A' ' 41' ' ' ILE . 60.9 mt -68.55 -35.67 71.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.572 -179.935 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 33.1 mt-10 -62.3 -28.58 69.83 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.182 178.625 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 12' ' ' SER . . . . . 0.589 ' HB3' HD13 ' A' ' 29' ' ' ILE . 0.4 OUTLIER -72.39 -46.43 55.27 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.216 -0.447 . . . . 0.0 109.801 179.391 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.843 ' O ' HG23 ' A' ' 17' ' ' THR . 76.2 t80 -63.2 -38.67 92.08 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.808 -0.633 . . . . 0.0 109.758 178.86 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.453 ' CZ ' ' CG2' ' A' ' 10' ' ' ILE . 6.8 m-30 -72.21 -47.71 48.51 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.493 -0.776 . . . . 0.0 110.448 179.723 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 27.7 mtmt -64.23 -42.97 96.31 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.403 179.287 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -60.49 -37.03 79.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.893 -0.594 . . . . 0.0 111.613 -179.753 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.843 HG23 ' O ' ' A' ' 13' ' ' TYR . 82.1 p -69.35 -32.48 71.58 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.956 0.408 . . . . 0.0 110.268 179.508 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -76.31 -46.09 29.34 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.501 -179.956 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 19' ' ' MET . . . . . 0.807 ' CE ' HD12 ' A' ' 21' ' ' LEU . 3.7 ptt? -83.58 -13.94 53.22 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.177 -0.465 . . . . 0.0 112.211 -179.405 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 3.1 m120 72.63 39.13 0.72 Allowed 'General case' 0 C--N 1.332 -0.164 0 CA-C-O 121.133 0.492 . . . . 0.0 110.14 -178.945 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.813 HD23 ' N ' ' A' ' 22' ' ' ASN . 3.1 tt -57.64 157.94 6.59 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.565 -0.743 . . . . 0.0 110.487 -179.919 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 22' ' ' ASN . . . . . 0.813 ' N ' HD23 ' A' ' 21' ' ' LEU . 10.4 t-20 -42.44 137.26 2.13 Favored 'General case' 0 N--CA 1.47 0.571 0 N-CA-C 112.197 0.443 . . . . 0.0 112.197 -179.791 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 1.5 ttm180 -57.01 -29.79 63.63 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.641 -179.424 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -64.94 -35.59 81.67 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.815 0.34 . . . . 0.0 110.86 -179.777 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 25' ' ' PHE . . . . . 0.773 ' HB3' HD22 ' A' ' 21' ' ' LEU . 2.9 t80 -75.25 -43.99 48.41 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 109.301 -0.629 . . . . 0.0 109.301 179.137 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 60.6 mt -60.99 -43.23 95.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 115.545 -0.752 . . . . 0.0 110.088 178.863 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -74.11 -33.49 63.6 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.198 179.454 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.573 HD23 ' N ' ' A' ' 29' ' ' ILE . 0.8 OUTLIER -66.83 -46.44 75.13 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.804 -0.634 . . . . 0.0 110.013 179.47 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.602 HD11 ' CD2' ' A' ' 25' ' ' PHE . 14.5 mt -69.24 -32.31 53.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.029 179.201 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -76.55 -32.73 58.37 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.26 179.194 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 52.4 m-20 -69.74 -29.65 67.06 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.912 179.761 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 16.4 tp10 -80.21 -46.15 16.81 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 109.378 -0.601 . . . . 0.0 109.378 179.229 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.595 HG23 ' HB3' ' A' ' 38' ' ' LEU . 67.0 mt -63.98 -33.54 62.84 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-N 115.423 -0.808 . . . . 0.0 109.559 178.587 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.61 ' HE2' HG21 ' A' ' 44' ' ' VAL . 8.5 mttt -68.99 -47.8 64.66 Favored 'General case' 0 N--CA 1.454 -0.247 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.212 179.397 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -70.93 -24.48 62.46 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.555 179.104 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 1.1 mmp_? -80.88 3.18 23.54 Favored 'General case' 0 CA--C 1.534 0.36 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.843 179.815 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 37.9 t 61.1 33.6 19.41 Favored 'General case' 0 C--O 1.23 0.04 0 CA-C-O 121.088 0.47 . . . . 0.0 110.249 -179.431 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.784 ' O ' HG22 ' A' ' 41' ' ' ILE . 10.1 tp -123.19 15.98 9.86 Favored 'General case' 0 CA--C 1.532 0.288 0 CA-C-N 115.706 -0.679 . . . . 0.0 111.381 -179.386 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -58.2 -26.14 58.32 Favored Glycine 0 C--N 1.336 0.554 0 C-N-CA 120.579 -0.819 . . . . 0.0 112.097 179.539 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 40' ' ' HIS . . . . . 0.41 ' NE2' HD12 ' A' ' 38' ' ' LEU . 3.4 p-80 -61.06 -30.62 70.44 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.921 0.391 . . . . 0.0 110.168 179.219 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.784 HG22 ' O ' ' A' ' 38' ' ' LEU . 6.0 tp -66.19 -31.96 55.98 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.314 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.214 179.512 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 1.109 HD11 HG22 ' A' ' 44' ' ' VAL . 5.8 pt -89.65 -28.87 5.06 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.111 0 CA-C-N 115.58 -0.736 . . . . 0.0 111.127 179.548 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 43' ' ' SER . . . . . 0.414 ' N ' HG13 ' A' ' 42' ' ' ILE . 2.7 t 69.31 73.34 0.25 Allowed 'General case' 0 N--CA 1.452 -0.337 0 CA-C-N 115.527 -0.76 . . . . 0.0 109.266 -177.951 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 1.109 HG22 HD11 ' A' ' 42' ' ' ILE . 1.5 t -72.55 154.07 7.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 115.712 -0.676 . . . . 0.0 110.689 -178.588 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 27.4 t -86.04 90.87 8.23 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.844 179.906 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.3 p . . . . . 0 C--O 1.25 1.105 0 CA-C-O 118.19 -0.909 . . . . 0.0 110.955 179.97 . . . . . . . . 0 0 . 1 . 025 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.488 1.433 0 CA-C-O 120.825 0.345 . . . . 0.0 111.197 . . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -83.42 -29.56 28.01 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.119 -0.492 . . . . 0.0 111.347 -179.749 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 3' ' ' LYS . . . . . 0.677 ' O ' HD23 ' A' ' 4' ' ' LEU . 14.8 mtmm -103.93 80.23 1.73 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.475 -0.329 . . . . 0.0 111.389 -179.531 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.677 HD23 ' O ' ' A' ' 3' ' ' LYS . 17.7 mt -149.95 152.7 35.4 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.881 179.734 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.501 ' OG ' HD23 ' A' ' 8' ' ' LEU . 9.1 p -89.97 161.74 15.74 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.136 179.298 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 6' ' ' ASP . . . . . 0.495 ' O ' HD12 ' A' ' 10' ' ' ILE . 0.1 OUTLIER -58.09 -26.48 62.63 Favored 'General case' 0 N--CA 1.467 0.384 0 C-N-CA 120.685 -0.406 . . . . 0.0 110.097 179.451 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -75.98 -35.59 59.56 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.318 179.447 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.501 HD23 ' OG ' ' A' ' 5' ' ' SER . 3.7 mm? -81.81 -35.54 29.38 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.743 179.428 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.474 HD12 HG23 ' A' ' 29' ' ' ILE . 51.7 tp -75.17 -43.81 50.21 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.875 179.902 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.828 HD11 HD21 ' A' ' 38' ' ' LEU . 63.4 mt -69.38 -40.23 79.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-N 116.433 -0.349 . . . . 0.0 110.762 -179.805 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -60.8 -28.24 68.62 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 109.869 -0.419 . . . . 0.0 109.869 178.387 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 12' ' ' SER . . . . . 0.41 ' C ' HD13 ' A' ' 29' ' ' ILE . 69.6 m -70.59 -44.21 67.8 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-O 121.069 0.461 . . . . 0.0 109.972 179.407 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.4 ' N ' HG21 ' A' ' 29' ' ' ILE . 67.5 t80 -67.5 -39.64 85.19 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.017 179.232 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.457 ' CZ ' ' CG2' ' A' ' 10' ' ' ILE . 7.7 m-30 -72.5 -39.69 67.43 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.408 -0.814 . . . . 0.0 110.73 179.963 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.432 ' HD2' ' N ' ' A' ' 15' ' ' LYS . 0.0 OUTLIER -65.43 -53.31 44.74 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.155 -0.475 . . . . 0.0 109.915 179.591 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.453 ' HB1' ' HB3' ' A' ' 21' ' ' LEU . . . -57.3 -34.24 68.51 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.625 -0.716 . . . . 0.0 111.817 -179.702 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 6.1 p -69.29 -32.62 71.89 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.887 0.375 . . . . 0.0 110.306 179.645 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 6.4 mt-10 -78.57 -46.56 19.12 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.292 179.848 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 19' ' ' MET . . . . . 0.855 ' CE ' HD12 ' A' ' 21' ' ' LEU . 3.0 ptt? -82.8 -9.15 59.47 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 112.379 0.511 . . . . 0.0 112.379 -179.64 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 36.0 m-20 66.5 40.85 3.36 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.065 0.459 . . . . 0.0 110.651 -178.999 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.855 HD12 ' CE ' ' A' ' 19' ' ' MET . 2.9 tt -59.36 159.7 7.62 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.2 179.629 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 22' ' ' ASN . . . . . 0.803 ' N ' HD23 ' A' ' 21' ' ' LEU . 6.1 t-20 -40.93 132.58 2.3 Favored 'General case' 0 N--CA 1.472 0.635 0 N-CA-C 112.298 0.481 . . . . 0.0 112.298 -179.743 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 5.6 tmm_? -53.99 -25.42 20.85 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.985 -0.552 . . . . 0.0 112.023 -179.344 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -69.47 -35.42 75.59 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.765 0.317 . . . . 0.0 110.913 -179.753 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 25' ' ' PHE . . . . . 0.687 ' CD2' HD11 ' A' ' 29' ' ' ILE . 4.2 t80 -74.0 -45.65 48.55 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 109.363 -0.606 . . . . 0.0 109.363 179.233 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 62.5 mt -59.07 -43.81 90.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 115.551 -0.75 . . . . 0.0 110.241 178.939 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 4.1 tt0 -72.85 -34.82 67.01 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.063 0.459 . . . . 0.0 110.295 179.615 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.633 HD23 ' N ' ' A' ' 29' ' ' ILE . 0.5 OUTLIER -65.13 -47.76 75.98 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.009 179.339 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.687 HD11 ' CD2' ' A' ' 25' ' ' PHE . 10.5 mt -67.11 -32.77 59.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.207 179.337 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -76.33 -31.92 58.41 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.294 179.445 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 3.9 m-20 -69.58 -28.96 66.42 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.037 179.815 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 16.0 tp10 -80.4 -44.63 19.03 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.212 0.529 . . . . 0.0 109.644 179.335 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.714 HG23 ' HB3' ' A' ' 38' ' ' LEU . 42.6 mt -64.51 -32.92 59.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-N 115.354 -0.839 . . . . 0.0 109.882 178.925 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 4.4 mtmt -68.91 -46.19 68.94 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.045 179.272 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 17.8 mtt180 -69.59 -25.18 63.84 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.57 179.066 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 9.7 mtt180 -82.93 6.47 18.49 Favored 'General case' 0 CA--C 1.534 0.331 0 CA-C-N 116.209 -0.45 . . . . 0.0 112.209 -179.906 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 5.3 t 60.14 32.89 21.09 Favored 'General case' 0 C--O 1.232 0.141 0 CA-C-O 120.968 0.414 . . . . 0.0 110.456 -179.74 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.828 HD21 HD11 ' A' ' 10' ' ' ILE . 8.3 tp -121.11 28.04 8.08 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.618 -179.615 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -72.06 -6.29 64.02 Favored Glycine 0 C--N 1.335 0.49 0 C-N-CA 121.043 -0.599 . . . . 0.0 112.877 179.52 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 23.7 p80 -85.04 -32.31 22.97 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 117.304 0.552 . . . . 0.0 109.609 178.899 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.702 HG22 ' O ' ' A' ' 38' ' ' LEU . 6.1 tp -60.35 -33.69 54.87 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.279 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.046 179.106 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.878 HD12 HG21 ' A' ' 44' ' ' VAL . 13.7 pt -80.68 159.52 4.17 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.18 0 CA-C-N 115.051 -0.977 . . . . 0.0 110.763 179.674 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 37.3 t -80.02 61.37 3.87 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.152 0.501 . . . . 0.0 110.077 179.362 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.878 HG21 HD12 ' A' ' 42' ' ' ILE . 25.2 t -122.82 133.39 69.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 115.819 -0.628 . . . . 0.0 111.281 -179.215 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 38.0 t -99.14 89.46 4.25 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.891 0.377 . . . . 0.0 110.461 179.483 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 26.8 p . . . . . 0 C--O 1.249 1.055 0 CA-C-O 118.303 -0.856 . . . . 0.0 110.887 -179.981 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 . . . . . 0 N--CA 1.454 -0.249 0 CA-C-O 120.702 0.287 . . . . 0.0 110.472 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.406 ' HA ' ' HB2' ' A' ' 11' ' ' GLU . 4.7 mp -81.0 -40.17 24.71 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.543 179.215 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 23.7 tp -62.78 -42.75 99.84 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.224 0.535 . . . . 0.0 109.68 179.005 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.866 HD11 HD21 ' A' ' 38' ' ' LEU . 32.0 mt -74.51 -34.16 34.82 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.554 0 CA-C-N 115.605 -0.725 . . . . 0.0 109.797 178.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . 0.406 ' HB2' ' HA ' ' A' ' 8' ' ' LEU . 8.6 mm-40 -62.5 -28.8 70.09 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.865 -0.607 . . . . 0.0 109.831 178.327 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 1.3 t -73.16 -46.53 50.35 Favored 'General case' 0 N--CA 1.455 -0.219 0 N-CA-C 109.435 -0.58 . . . . 0.0 109.435 179.003 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.876 ' O ' HG23 ' A' ' 17' ' ' THR . 74.6 t80 -63.65 -40.11 96.04 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.778 -0.646 . . . . 0.0 109.929 178.778 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . 0.459 ' CZ ' ' CG2' ' A' ' 10' ' ' ILE . 5.6 m-30 -70.58 -47.6 59.4 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.543 -0.753 . . . . 0.0 110.438 179.783 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 36.0 mtmt -61.37 -44.58 96.93 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.586 179.499 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.579 ' HB1' ' HB3' ' A' ' 21' ' ' LEU . . . -60.25 -37.27 79.86 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.85 -0.614 . . . . 0.0 111.771 -179.483 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.876 HG23 ' O ' ' A' ' 13' ' ' TYR . 68.2 p -68.24 -32.48 72.69 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.886 0.374 . . . . 0.0 110.546 179.865 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -75.5 -44.26 44.73 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.45 -179.908 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . 0.759 ' CE ' HD12 ' A' ' 21' ' ' LEU . 3.5 ptt? -84.39 -14.68 48.74 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 112.177 0.436 . . . . 0.0 112.177 -179.491 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 10.3 m-80 75.95 38.15 0.36 Allowed 'General case' 0 N--CA 1.465 0.3 0 CA-C-O 121.098 0.475 . . . . 0.0 110.142 -179.019 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.826 HD23 ' N ' ' A' ' 22' ' ' ASN . 3.3 tt -57.6 156.13 8.76 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.615 -0.72 . . . . 0.0 110.516 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . 0.826 ' N ' HD23 ' A' ' 21' ' ' LEU . 9.8 t-20 -42.8 138.69 1.88 Allowed 'General case' 0 N--CA 1.47 0.529 0 N-CA-C 112.221 0.452 . . . . 0.0 112.221 -179.619 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 7.5 ttm180 -58.15 -28.92 65.15 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.88 -0.6 . . . . 0.0 111.609 -179.502 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -64.49 -38.85 92.45 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.567 -0.288 . . . . 0.0 111.055 -179.709 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . 0.803 ' CD2' HD11 ' A' ' 29' ' ' ILE . 3.7 t80 -73.83 -42.5 60.79 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 109.395 -0.595 . . . . 0.0 109.395 179.088 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 69.4 mt -60.41 -43.41 93.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 115.427 -0.806 . . . . 0.0 110.01 178.823 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -75.02 -34.7 61.93 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.258 179.536 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.581 HD23 ' N ' ' A' ' 29' ' ' ILE . 0.9 OUTLIER -65.33 -47.59 75.98 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.827 -0.624 . . . . 0.0 109.997 179.483 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.803 HD11 ' CD2' ' A' ' 25' ' ' PHE . 9.8 mt -67.85 -31.98 54.5 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.085 179.376 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.418 ' HB2' ' CE1' ' A' ' 13' ' ' TYR . 1.4 tm-20 -76.71 -33.23 58.2 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.311 179.196 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -67.59 -30.05 69.56 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.976 -0.556 . . . . 0.0 111.056 179.825 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 2.5 tp10 -80.26 -45.32 18.14 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 109.459 -0.571 . . . . 0.0 109.459 179.167 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.713 HG23 ' HB3' ' A' ' 38' ' ' LEU . 51.1 mt -64.58 -31.93 55.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-N 115.319 -0.855 . . . . 0.0 109.692 178.565 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 7.1 mmtt -70.34 -47.95 58.66 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.254 179.464 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 3.1 ttm-85 -69.54 -23.09 63.54 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.608 178.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 16.5 mtp180 -83.45 6.37 20.47 Favored 'General case' 0 CA--C 1.535 0.366 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.979 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 5.0 t 61.02 34.06 19.45 Favored 'General case' 0 C--O 1.229 0.026 0 CA-C-O 121.076 0.465 . . . . 0.0 110.478 -179.721 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.866 HD21 HD11 ' A' ' 10' ' ' ILE . 8.1 tp -123.02 26.04 8.28 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.667 -0.697 . . . . 0.0 110.755 -179.579 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -71.03 -7.67 62.98 Favored Glycine 0 C--N 1.336 0.539 0 C-N-CA 120.94 -0.648 . . . . 0.0 112.835 179.687 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -82.79 -31.47 28.21 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 117.256 0.528 . . . . 0.0 109.641 178.784 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.747 HG12 HD13 ' A' ' 10' ' ' ILE . 6.5 tp . . . . . 0 N--CA 1.453 -0.279 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.039 179.05 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.454 -0.228 0 CA-C-O 120.935 0.398 . . . . 0.0 110.021 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -80.72 -33.61 35.11 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.434 179.141 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.514 HD21 HG13 ' A' ' 33' ' ' ILE . 18.2 tp -74.04 -47.07 39.3 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.532 179.658 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.78 HD11 HD21 ' A' ' 38' ' ' LEU . 51.7 mt -68.38 -35.07 69.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.521 179.901 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 15.5 mt-10 -62.04 -28.41 69.57 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.118 178.658 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . 0.435 ' HB3' HD13 ' A' ' 29' ' ' ILE . 1.1 t -73.19 -45.28 57.25 Favored 'General case' 0 CA--C 1.52 -0.183 0 N-CA-C 109.708 -0.478 . . . . 0.0 109.708 179.285 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.681 ' O ' HG23 ' A' ' 17' ' ' THR . 71.4 t80 -64.67 -38.0 89.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.842 -0.617 . . . . 0.0 109.807 178.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . 0.457 ' CZ ' ' CG2' ' A' ' 10' ' ' ILE . 13.2 m-30 -73.54 -45.57 52.78 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.519 -0.764 . . . . 0.0 110.516 179.693 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 6.6 mmtt -65.29 -44.98 86.24 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.583 179.48 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.586 ' HB1' ' HB3' ' A' ' 21' ' ' LEU . . . -64.32 -35.98 82.62 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.667 -179.653 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.681 HG23 ' O ' ' A' ' 13' ' ' TYR . 20.4 p -67.34 -32.59 73.64 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.991 0.424 . . . . 0.0 110.51 179.72 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -75.82 -47.12 26.99 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.486 -179.742 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . 0.778 ' CE ' HD12 ' A' ' 21' ' ' LEU . 3.6 ptt? -81.4 -14.04 57.61 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.195 -0.457 . . . . 0.0 112.175 -179.555 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 22.2 m-20 74.67 38.15 0.5 Allowed 'General case' 0 N--CA 1.463 0.191 0 CA-C-O 121.14 0.495 . . . . 0.0 110.012 -179.076 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.824 HD23 ' N ' ' A' ' 22' ' ' ASN . 3.2 tt -55.85 157.91 4.04 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.591 -0.731 . . . . 0.0 110.523 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . 0.824 ' N ' HD23 ' A' ' 21' ' ' LEU . 47.7 t30 -41.66 133.81 2.6 Favored 'General case' 0 N--CA 1.471 0.622 0 N-CA-C 112.141 0.423 . . . . 0.0 112.141 -179.774 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -54.56 -29.03 49.88 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.86 -179.326 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -66.15 -36.16 82.38 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.765 0.317 . . . . 0.0 110.917 -179.796 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . 0.769 ' HB3' HD22 ' A' ' 21' ' ' LEU . 2.6 t80 -74.63 -42.56 58.36 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 109.206 -0.665 . . . . 0.0 109.206 179.065 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 56.0 mt -61.93 -47.52 92.84 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 115.454 -0.794 . . . . 0.0 109.993 178.825 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -69.81 -32.21 70.53 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.359 179.651 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.59 HD23 ' N ' ' A' ' 29' ' ' ILE . 0.8 OUTLIER -67.84 -47.2 69.64 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.007 179.5 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.59 ' N ' HD23 ' A' ' 28' ' ' LEU . 12.5 mt -68.95 -32.45 54.59 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.02 179.161 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 6.9 tt0 -76.61 -32.72 58.24 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.193 179.266 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 5.1 m-20 -69.4 -28.89 66.55 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.997 179.899 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 8.6 tp10 -80.6 -45.1 17.87 Favored 'General case' 0 C--N 1.33 -0.273 0 N-CA-C 109.574 -0.528 . . . . 0.0 109.574 179.21 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.721 HG23 ' HB3' ' A' ' 38' ' ' LEU . 45.5 mt -64.55 -32.21 56.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-N 115.337 -0.847 . . . . 0.0 109.759 178.721 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 36.6 mttt -69.62 -47.1 64.62 Favored 'General case' 0 N--CA 1.456 -0.172 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.075 179.385 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 3.3 tpp180 -70.85 -24.29 62.49 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.954 -0.567 . . . . 0.0 110.768 179.166 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 5.3 mtp180 -81.96 4.76 21.44 Favored 'General case' 0 CA--C 1.534 0.349 0 CA-C-N 116.287 -0.415 . . . . 0.0 112.038 179.899 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 2.8 t 61.32 34.48 18.48 Favored 'General case' 0 C--O 1.23 0.065 0 CA-C-O 121.14 0.495 . . . . 0.0 110.328 -179.663 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.78 HD21 HD11 ' A' ' 10' ' ' ILE . 8.6 tp -123.08 27.06 7.79 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.538 -0.756 . . . . 0.0 110.547 -179.549 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -70.83 -7.33 61.63 Favored Glycine 0 C--N 1.336 0.533 0 C-N-CA 121.0 -0.619 . . . . 0.0 113.067 179.803 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 8.8 p-80 -83.88 -32.24 25.28 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 117.348 0.574 . . . . 0.0 109.497 178.8 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.746 HG22 ' O ' ' A' ' 38' ' ' LEU . 6.2 tp . . . . . 0 CA--C 1.533 0.325 0 CA-C-N 115.804 -0.635 . . . . 0.0 109.829 178.798 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.321 0 N-CA-C 110.257 -0.275 . . . . 0.0 110.257 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 5.4 mp -80.39 -37.5 32.15 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.233 179.078 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 14.0 tp -63.43 -44.52 94.33 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.958 -0.565 . . . . 0.0 109.574 178.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.856 HD11 ' CD2' ' A' ' 38' ' ' LEU . 23.5 mt -72.49 -34.88 49.69 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.525 0 CA-C-N 115.621 -0.718 . . . . 0.0 109.858 179.162 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -61.38 -28.36 69.18 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.084 -0.507 . . . . 0.0 109.822 178.206 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 5.9 m -73.21 -47.07 46.61 Favored 'General case' 0 N--CA 1.455 -0.185 0 N-CA-C 109.463 -0.569 . . . . 0.0 109.463 179.122 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.636 ' O ' HG23 ' A' ' 17' ' ' THR . 75.3 t80 -62.87 -38.73 92.04 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.792 -0.64 . . . . 0.0 109.948 178.847 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . 0.456 ' CZ ' ' CG2' ' A' ' 10' ' ' ILE . 6.2 m-30 -72.39 -46.18 56.38 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.596 -0.729 . . . . 0.0 110.282 179.702 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.59 -42.47 95.56 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.881 -0.599 . . . . 0.0 110.589 179.305 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.593 ' HB1' ' HB3' ' A' ' 21' ' ' LEU . . . -65.76 -38.28 88.64 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.013 -0.539 . . . . 0.0 111.548 -179.662 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.636 HG23 ' O ' ' A' ' 13' ' ' TYR . 20.8 p -65.0 -32.63 74.45 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.876 0.369 . . . . 0.0 110.501 179.81 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 5.6 mt-10 -75.04 -48.06 25.87 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.631 -179.734 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . 0.693 ' CE ' HD12 ' A' ' 21' ' ' LEU . 4.5 ptp -80.43 -14.43 58.3 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 112.38 0.511 . . . . 0.0 112.38 -179.266 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 4.9 m120 75.69 38.26 0.38 Allowed 'General case' 0 N--CA 1.465 0.28 0 CA-C-O 121.197 0.523 . . . . 0.0 109.978 -178.913 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.815 HD22 ' HB3' ' A' ' 25' ' ' PHE . 2.8 tt -55.05 158.77 2.71 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 115.479 -0.782 . . . . 0.0 110.66 -179.922 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . 0.806 ' N ' HD23 ' A' ' 21' ' ' LEU . 9.7 t-20 -41.79 133.67 2.74 Favored 'General case' 0 N--CA 1.47 0.572 0 N-CA-C 112.208 0.447 . . . . 0.0 112.208 -179.739 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 2.5 tpt180 -54.75 -31.36 58.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.916 -179.293 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -67.17 -33.52 75.57 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.747 0.308 . . . . 0.0 111.07 -179.639 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . 0.874 ' CD2' HD11 ' A' ' 29' ' ' ILE . 7.5 t80 -75.99 -43.67 43.36 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 109.313 -0.625 . . . . 0.0 109.313 179.148 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 61.6 mt -61.09 -44.98 99.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 115.453 -0.794 . . . . 0.0 110.104 178.875 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 2.7 tp10 -72.17 -32.98 67.35 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.303 179.497 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.611 HD23 ' N ' ' A' ' 29' ' ' ILE . 0.6 OUTLIER -66.37 -47.77 72.31 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.053 179.44 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.874 HD11 ' CD2' ' A' ' 25' ' ' PHE . 9.9 mt -67.76 -32.21 55.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.097 179.179 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.409 ' HB2' ' CE1' ' A' ' 13' ' ' TYR . 3.5 tt0 -76.4 -33.55 58.85 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.253 179.341 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 48.0 m-20 -67.92 -29.24 68.27 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.891 -0.595 . . . . 0.0 111.105 179.818 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 1.7 tp10 -80.58 -44.82 18.35 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 109.561 -0.533 . . . . 0.0 109.561 179.29 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.713 HG23 ' HB3' ' A' ' 38' ' ' LEU . 46.4 mt -65.16 -32.0 56.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-N 115.366 -0.834 . . . . 0.0 109.823 178.76 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 22.6 mttt -71.25 -46.24 61.45 Favored 'General case' 0 N--CA 1.455 -0.186 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.065 179.307 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 13.1 mtt85 -70.83 -23.84 62.42 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.925 -0.579 . . . . 0.0 110.47 178.877 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 43.1 mtt180 -83.48 6.29 20.85 Favored 'General case' 0 CA--C 1.534 0.346 0 CA-C-N 116.363 -0.38 . . . . 0.0 112.005 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 6.3 t 60.66 34.53 20.06 Favored 'General case' 0 C--O 1.231 0.121 0 CA-C-O 121.08 0.467 . . . . 0.0 110.483 -179.734 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.856 ' CD2' HD11 ' A' ' 10' ' ' ILE . 8.3 tp -123.04 27.19 7.75 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.647 -0.706 . . . . 0.0 110.737 -179.515 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -70.88 -7.66 62.45 Favored Glycine 0 C--N 1.334 0.462 0 C-N-CA 121.073 -0.584 . . . . 0.0 112.988 179.695 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 22.5 p-80 -83.18 -31.48 27.1 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 117.371 0.585 . . . . 0.0 109.518 178.779 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.745 HG22 ' O ' ' A' ' 38' ' ' LEU . 6.3 tp . . . . . 0 CA--C 1.532 0.268 0 CA-C-N 115.791 -0.64 . . . . 0.0 109.981 179.037 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 . . . . . 0 N--CA 1.455 -0.221 0 CA-C-O 121.044 0.45 . . . . 0.0 110.063 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -79.77 -33.86 40.27 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.543 -0.753 . . . . 0.0 110.423 179.25 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.461 HD21 HG13 ' A' ' 33' ' ' ILE . 15.8 tp -74.38 -47.2 35.54 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.702 -0.681 . . . . 0.0 110.573 179.737 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.782 HD13 HG12 ' A' ' 41' ' ' ILE . 33.5 mt -68.59 -33.88 62.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.499 179.798 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 12.1 mm-40 -62.25 -28.77 69.94 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.152 178.632 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -73.67 -45.65 51.21 Favored 'General case' 0 C--N 1.331 -0.201 0 N-CA-C 109.66 -0.496 . . . . 0.0 109.66 179.289 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.761 ' O ' HG23 ' A' ' 17' ' ' THR . 54.0 t80 -63.93 -36.53 84.26 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.809 -0.632 . . . . 0.0 109.711 178.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . 0.459 ' CZ ' ' CG2' ' A' ' 10' ' ' ILE . 5.7 m-30 -74.57 -48.05 29.03 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.448 -0.796 . . . . 0.0 110.308 179.807 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 43.2 mtmt -64.06 -44.03 93.68 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.46 179.448 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.544 ' HB1' ' HB3' ' A' ' 21' ' ' LEU . . . -62.31 -37.73 86.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.875 -0.602 . . . . 0.0 111.601 -179.625 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.761 HG23 ' O ' ' A' ' 13' ' ' TYR . 35.1 p -66.6 -32.4 73.7 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.935 0.398 . . . . 0.0 110.298 179.587 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 10.3 mt-10 -74.75 -49.02 22.49 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 115.957 -0.565 . . . . 0.0 111.564 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . 0.765 ' CE ' HD12 ' A' ' 21' ' ' LEU . 3.5 ptt? -80.25 -14.71 58.19 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 112.368 0.507 . . . . 0.0 112.368 -179.431 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 11.7 m120 75.08 39.73 0.38 Allowed 'General case' 0 N--CA 1.464 0.268 0 CA-C-O 121.193 0.521 . . . . 0.0 110.013 -178.885 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.81 HD23 ' N ' ' A' ' 22' ' ' ASN . 3.0 tt -56.46 157.97 4.71 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.626 -0.715 . . . . 0.0 110.532 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . 0.81 ' N ' HD23 ' A' ' 21' ' ' LEU . 54.0 t-20 -41.84 133.4 2.84 Favored 'General case' 0 N--CA 1.47 0.574 0 N-CA-C 112.16 0.43 . . . . 0.0 112.16 -179.747 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -54.95 -26.39 35.99 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.945 -0.57 . . . . 0.0 111.892 -179.378 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -69.7 -36.58 76.06 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.668 0.271 . . . . 0.0 111.022 -179.738 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . 0.803 ' HB3' HD22 ' A' ' 21' ' ' LEU . 2.5 t80 -74.66 -41.13 60.87 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 109.372 -0.603 . . . . 0.0 109.372 179.107 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 59.0 mt -62.02 -45.95 97.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 115.517 -0.765 . . . . 0.0 109.893 178.745 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -71.16 -33.6 70.17 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.163 179.458 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.574 HD23 ' N ' ' A' ' 29' ' ' ILE . 0.9 OUTLIER -66.57 -47.43 72.81 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.827 -0.624 . . . . 0.0 109.946 179.316 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.695 HD11 ' CD2' ' A' ' 25' ' ' PHE . 6.6 mt -67.96 -32.17 55.14 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.071 179.254 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.409 ' HB2' ' CE1' ' A' ' 13' ' ' TYR . 4.7 tt0 -76.31 -32.74 58.9 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.149 179.157 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 6.7 m120 -68.91 -28.13 66.4 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.801 -0.636 . . . . 0.0 111.1 179.743 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 2.7 tp10 -80.36 -45.69 17.32 Favored 'General case' 0 CA--C 1.519 -0.247 0 N-CA-C 109.56 -0.534 . . . . 0.0 109.56 179.269 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.671 HG23 ' HB3' ' A' ' 38' ' ' LEU . 65.3 mt -64.56 -31.8 55.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 CA-C-N 115.435 -0.802 . . . . 0.0 109.906 178.784 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 21.2 mttt -70.74 -46.67 62.57 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.2 -0.454 . . . . 0.0 109.864 179.299 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 21.4 mtm180 -70.93 -24.35 62.43 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.63 179.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 17.7 mtt-85 -81.92 4.43 22.57 Favored 'General case' 0 CA--C 1.534 0.344 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.873 179.904 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 3.5 t 61.31 33.97 18.73 Favored 'General case' 0 CA--C 1.523 -0.062 0 CA-C-O 121.119 0.485 . . . . 0.0 110.311 -179.572 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.775 ' CD2' HD11 ' A' ' 10' ' ' ILE . 9.8 tp -123.15 28.18 7.26 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.599 -0.728 . . . . 0.0 110.642 -179.361 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -69.65 -8.74 60.78 Favored Glycine 0 C--N 1.334 0.468 0 C-N-CA 120.989 -0.624 . . . . 0.0 113.044 179.765 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -81.95 -31.71 31.13 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 117.379 0.589 . . . . 0.0 109.7 178.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.782 HG12 HD13 ' A' ' 10' ' ' ILE . 6.9 tp . . . . . 0 CA--C 1.533 0.292 0 CA-C-N 115.749 -0.659 . . . . 0.0 110.116 178.867 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.455 -0.208 0 CA-C-O 120.876 0.37 . . . . 0.0 110.244 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -81.99 -32.85 30.43 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.56 179.38 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.525 HD21 HG13 ' A' ' 33' ' ' ILE . 15.4 tp -75.2 -44.02 48.72 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.744 179.751 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.806 HD11 HD21 ' A' ' 38' ' ' LEU . 62.2 mt -69.75 -37.79 74.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.594 179.85 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -61.28 -27.82 68.74 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.044 178.628 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 69.0 m -71.92 -47.02 55.51 Favored 'General case' 0 CA--C 1.521 -0.156 0 N-CA-C 109.743 -0.465 . . . . 0.0 109.743 179.121 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.651 ' O ' HG23 ' A' ' 17' ' ' THR . 65.2 t80 -64.01 -38.43 91.05 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.049 179.045 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . 0.466 ' CZ ' ' CG2' ' A' ' 10' ' ' ILE . 12.3 m-30 -72.87 -43.21 62.82 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.481 -0.781 . . . . 0.0 110.75 179.816 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 28.4 mtmt -65.21 -47.92 75.2 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.625 179.42 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.583 ' HB1' ' HB3' ' A' ' 21' ' ' LEU . . . -63.8 -33.76 76.4 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.95 -0.568 . . . . 0.0 111.784 -179.702 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.651 HG23 ' O ' ' A' ' 13' ' ' TYR . 14.9 p -68.06 -32.59 73.04 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.803 0.335 . . . . 0.0 110.465 179.807 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -76.84 -48.01 19.7 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.482 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . 0.829 ' CE ' HD12 ' A' ' 21' ' ' LEU . 3.6 ptt? -80.08 -14.58 58.41 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.218 -0.446 . . . . 0.0 112.084 -179.59 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 12.5 m120 74.02 37.16 0.65 Allowed 'General case' 0 N--CA 1.463 0.201 0 CA-C-O 121.161 0.505 . . . . 0.0 110.141 -178.948 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.829 HD12 ' CE ' ' A' ' 19' ' ' MET . 2.8 tt -54.37 160.36 1.71 Allowed 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 115.588 -0.733 . . . . 0.0 110.541 179.88 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . 0.801 ' N ' HD23 ' A' ' 21' ' ' LEU . 10.4 t-20 -41.71 133.19 2.79 Favored 'General case' 0 N--CA 1.472 0.628 0 N-CA-C 112.079 0.399 . . . . 0.0 112.079 -179.674 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 6.1 tpp85 -54.5 -28.81 47.71 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.778 -179.36 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -66.55 -35.45 80.26 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 120.733 0.301 . . . . 0.0 110.998 -179.721 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . 0.674 ' HB3' HD22 ' A' ' 21' ' ' LEU . 2.4 t80 -74.64 -43.59 54.66 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 109.263 -0.643 . . . . 0.0 109.263 179.092 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 58.4 mt -61.99 -45.77 97.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 115.531 -0.758 . . . . 0.0 110.056 178.882 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -71.13 -32.8 69.43 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.426 179.623 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.591 HD23 ' N ' ' A' ' 29' ' ' ILE . 0.7 OUTLIER -67.45 -47.27 70.64 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.07 179.569 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.591 ' N ' HD23 ' A' ' 28' ' ' LEU . 10.4 mt -69.04 -32.35 53.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.107 179.197 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.407 ' HB2' ' CE1' ' A' ' 13' ' ' TYR . 5.8 tt0 -76.56 -32.87 58.45 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.343 179.171 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 49.8 m-20 -68.56 -29.56 68.13 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.815 -0.629 . . . . 0.0 110.982 179.904 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 8.9 tp10 -80.22 -45.8 17.39 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 109.542 -0.54 . . . . 0.0 109.542 179.139 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.741 HG23 ' HB3' ' A' ' 38' ' ' LEU . 47.1 mt -63.31 -32.18 55.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-N 115.358 -0.837 . . . . 0.0 109.76 178.793 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 22.0 mttt -69.64 -47.99 61.46 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.196 179.545 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 1.3 tmt_? -70.74 -24.26 62.59 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.811 179.143 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 30.5 mtt180 -81.39 3.92 22.71 Favored 'General case' 0 CA--C 1.534 0.342 0 N-CA-C 112.093 0.405 . . . . 0.0 112.093 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 3.7 t 62.23 34.71 15.87 Favored 'General case' 0 C--O 1.232 0.133 0 CA-C-O 121.063 0.458 . . . . 0.0 110.371 -179.757 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.806 HD21 HD11 ' A' ' 10' ' ' ILE . 7.8 tp -123.02 27.48 7.63 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.634 -0.712 . . . . 0.0 110.449 -179.707 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -71.22 -7.24 62.82 Favored Glycine 0 C--N 1.337 0.598 0 C-N-CA 121.017 -0.611 . . . . 0.0 113.015 179.891 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' HIS . . . . . 0.415 ' CD2' ' N ' ' A' ' 41' ' ' ILE . 3.2 p-80 -84.53 -32.08 24.08 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 117.315 0.558 . . . . 0.0 109.581 178.932 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.724 HG22 ' O ' ' A' ' 38' ' ' LEU . 5.9 tp . . . . . 0 CA--C 1.532 0.281 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.027 179.084 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 . . . . . 0 N--CA 1.456 -0.167 0 CA-C-O 120.898 0.38 . . . . 0.0 110.218 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -81.05 -35.21 32.09 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.665 179.363 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.524 HD21 HG13 ' A' ' 33' ' ' ILE . 14.9 tp -74.36 -44.59 51.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.777 179.828 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.825 HD11 HD21 ' A' ' 38' ' ' LEU . 51.6 mt -69.87 -35.46 64.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.551 179.87 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -62.1 -28.42 69.61 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.182 178.735 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -73.65 -45.82 50.38 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-O 121.016 0.436 . . . . 0.0 109.835 179.255 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.66 ' O ' HG23 ' A' ' 17' ' ' THR . 63.4 t80 -64.16 -38.19 90.18 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.871 -0.604 . . . . 0.0 109.776 178.786 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . 0.451 ' CZ ' ' CG2' ' A' ' 10' ' ' ILE . 7.1 m-30 -73.2 -46.38 50.82 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.471 -0.786 . . . . 0.0 110.462 179.68 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 7.5 mmpt? -65.48 -45.64 82.87 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.817 -0.628 . . . . 0.0 110.499 179.361 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.483 ' HB1' ' HB3' ' A' ' 21' ' ' LEU . . . -63.07 -35.04 78.93 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.83 -0.623 . . . . 0.0 111.627 -179.579 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.66 HG23 ' O ' ' A' ' 13' ' ' TYR . 18.5 p -68.94 -32.59 72.3 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.958 0.409 . . . . 0.0 110.454 179.73 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -75.76 -46.17 32.31 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.456 -179.879 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . 0.786 ' CE ' HD12 ' A' ' 21' ' ' LEU . 3.7 ptt? -82.54 -15.29 52.88 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 112.162 0.43 . . . . 0.0 112.162 -179.49 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 18.4 m-80 74.26 39.76 0.47 Allowed 'General case' 0 N--CA 1.463 0.196 0 CA-C-O 121.254 0.549 . . . . 0.0 109.934 -178.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.802 HD23 ' N ' ' A' ' 22' ' ' ASN . 2.7 tt -55.77 159.45 3.07 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 115.45 -0.795 . . . . 0.0 110.547 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . 0.802 ' N ' HD23 ' A' ' 21' ' ' LEU . 61.6 t30 -41.34 131.4 2.83 Favored 'General case' 0 N--CA 1.47 0.557 0 N-CA-C 112.158 0.429 . . . . 0.0 112.158 -179.859 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.43 -32.57 27.1 Favored 'General case' 0 N--CA 1.464 0.265 0 CA-C-N 115.909 -0.587 . . . . 0.0 112.099 -179.267 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 1.9 t0 -65.14 -35.78 82.18 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.584 -0.28 . . . . 0.0 111.304 -179.522 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . 0.725 ' HB3' HD22 ' A' ' 21' ' ' LEU . 2.5 t80 -74.68 -43.91 52.84 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 179.239 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 56.3 mt -61.31 -46.1 97.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 115.63 -0.714 . . . . 0.0 110.062 178.909 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -70.66 -33.14 70.64 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.077 0.465 . . . . 0.0 110.336 179.66 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.586 HD23 ' N ' ' A' ' 29' ' ' ILE . 0.8 OUTLIER -67.79 -46.67 71.31 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.0 179.439 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.652 HD11 ' CD2' ' A' ' 25' ' ' PHE . 6.1 mt -68.14 -32.95 58.15 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.108 179.178 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.408 ' HG3' ' CZ ' ' A' ' 13' ' ' TYR . 8.4 tt0 -76.49 -32.65 58.47 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.288 179.51 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 6.8 m120 -69.46 -28.88 66.48 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.94 -0.573 . . . . 0.0 111.152 179.883 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -80.5 -45.2 17.9 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.221 0.534 . . . . 0.0 109.608 179.295 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.669 HG23 ' HB3' ' A' ' 38' ' ' LEU . 44.4 mt -63.35 -32.21 55.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-N 115.394 -0.821 . . . . 0.0 109.744 178.722 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 14.9 mtmt -71.49 -49.03 45.14 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.156 179.404 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 1.4 tpt180 -69.37 -24.2 63.84 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.635 179.133 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 39.9 mtt180 -82.73 5.85 20.0 Favored 'General case' 0 CA--C 1.533 0.322 0 N-CA-C 112.18 0.437 . . . . 0.0 112.18 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 24.1 t 60.75 34.74 19.79 Favored 'General case' 0 C--O 1.231 0.125 0 CA-C-O 121.092 0.472 . . . . 0.0 110.458 -179.857 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.825 HD21 HD11 ' A' ' 10' ' ' ILE . 8.0 tp -123.11 25.07 8.65 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.667 -0.697 . . . . 0.0 110.76 -179.606 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -69.07 -9.65 60.52 Favored Glycine 0 C--N 1.335 0.522 0 C-N-CA 120.967 -0.635 . . . . 0.0 112.968 179.83 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 7.6 p-80 -81.14 -33.07 33.41 Favored 'General case' 0 N--CA 1.454 -0.272 0 CA-C-N 117.269 0.534 . . . . 0.0 109.689 179.025 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.738 HG22 ' O ' ' A' ' 38' ' ' LEU . 6.1 tp . . . . . 0 CA--C 1.533 0.31 0 CA-C-O 121.418 0.628 . . . . 0.0 109.928 178.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.455 -0.218 0 CA-C-O 120.691 0.281 . . . . 0.0 110.255 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -79.69 -38.07 34.36 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.002 179.602 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.485 HD21 HG13 ' A' ' 33' ' ' ILE . 45.5 tp -74.97 -44.5 48.01 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.988 -179.919 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.77 HD11 ' CD2' ' A' ' 38' ' ' LEU . 62.0 mt -69.73 -33.91 58.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.625 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -62.61 -28.6 70.01 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.069 178.65 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 49.4 m -72.6 -46.03 56.18 Favored 'General case' 0 N--CA 1.454 -0.225 0 N-CA-C 109.687 -0.486 . . . . 0.0 109.687 179.342 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.716 ' O ' HG23 ' A' ' 17' ' ' THR . 75.6 t80 -65.09 -39.06 92.63 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.86 -0.609 . . . . 0.0 109.98 178.933 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . 0.458 ' CZ ' ' CG2' ' A' ' 10' ' ' ILE . 7.2 m-30 -72.25 -42.66 65.4 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.628 -0.715 . . . . 0.0 110.545 179.721 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.44 -45.38 80.03 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.332 179.241 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -59.69 -36.11 75.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.915 -0.584 . . . . 0.0 111.419 -179.782 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.716 HG23 ' O ' ' A' ' 13' ' ' TYR . 59.4 p -69.77 -32.55 71.11 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.95 0.405 . . . . 0.0 110.285 179.506 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -77.14 -45.18 27.69 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.619 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . 0.802 ' CE ' HD12 ' A' ' 21' ' ' LEU . 3.5 ptt? -83.79 -15.91 46.68 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 112.184 0.439 . . . . 0.0 112.184 -179.432 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 21.6 m-20 75.53 37.68 0.42 Allowed 'General case' 0 N--CA 1.464 0.271 0 CA-C-O 121.082 0.468 . . . . 0.0 110.144 -179.049 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.82 HD23 ' N ' ' A' ' 22' ' ' ASN . 3.1 tt -57.76 156.97 7.92 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.725 -0.671 . . . . 0.0 110.397 179.928 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . 0.82 ' N ' HD23 ' A' ' 21' ' ' LEU . 48.9 t30 -41.31 137.46 1.43 Allowed 'General case' 0 N--CA 1.472 0.637 0 N-CA-C 112.272 0.471 . . . . 0.0 112.272 -179.646 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.1 -31.42 63.25 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.934 -0.575 . . . . 0.0 111.622 -179.409 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -64.74 -32.98 74.91 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.79 0.329 . . . . 0.0 110.848 -179.757 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . 0.781 ' CB ' HD22 ' A' ' 21' ' ' LEU . 3.4 t80 -76.02 -45.93 31.97 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 109.249 -0.648 . . . . 0.0 109.249 179.081 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 63.9 mt -59.42 -42.94 89.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 115.513 -0.767 . . . . 0.0 110.178 178.862 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -74.67 -33.15 62.42 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.387 179.602 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.599 HD23 ' N ' ' A' ' 29' ' ' ILE . 0.6 OUTLIER -67.07 -46.69 73.53 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.758 -0.656 . . . . 0.0 110.077 179.489 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.641 HD11 ' CD2' ' A' ' 25' ' ' PHE . 10.5 mt -68.27 -32.13 54.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.151 179.25 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.416 ' HB2' ' CE1' ' A' ' 13' ' ' TYR . 0.8 OUTLIER -76.25 -32.31 58.8 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.174 179.184 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 4.7 m-20 -70.01 -28.67 65.68 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.925 179.731 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -80.28 -46.73 15.69 Favored 'General case' 0 CA--C 1.519 -0.24 0 N-CA-C 109.406 -0.591 . . . . 0.0 109.406 179.181 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.664 HG23 ' HB3' ' A' ' 38' ' ' LEU . 45.0 mt -63.62 -32.67 57.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-N 115.351 -0.84 . . . . 0.0 109.577 178.604 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 5.8 mmtt -69.01 -47.65 64.95 Favored 'General case' 0 N--CA 1.456 -0.143 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.08 179.319 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 1.2 tpm_? -68.56 -22.67 64.47 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.578 178.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -84.63 7.66 19.5 Favored 'General case' 0 CA--C 1.533 0.319 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.868 179.726 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 2.6 t 59.29 33.57 22.6 Favored 'General case' 0 N--CA 1.461 0.082 0 CA-C-O 121.061 0.458 . . . . 0.0 110.465 -179.594 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.81 ' O ' HG22 ' A' ' 41' ' ' ILE . 8.5 tp -123.01 21.46 9.79 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.717 -0.674 . . . . 0.0 111.379 -179.413 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -63.63 -25.31 68.76 Favored Glycine 0 C--N 1.334 0.444 0 C-N-CA 120.225 -0.988 . . . . 0.0 111.982 179.481 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -62.54 -24.56 67.58 Favored 'General case' 0 C--N 1.33 -0.244 0 O-C-N 122.451 -0.44 . . . . 0.0 110.598 179.243 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.81 HG22 ' O ' ' A' ' 38' ' ' LEU . 6.2 tp . . . . . 0 CA--C 1.536 0.437 0 CA-C-O 121.107 0.479 . . . . 0.0 110.626 179.828 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 . . . . . 0 N--CA 1.455 -0.207 0 CA-C-O 120.91 0.386 . . . . 0.0 110.232 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -79.27 -35.72 40.93 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.654 179.413 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.482 HD21 HG13 ' A' ' 33' ' ' ILE . 14.7 tp -72.68 -43.9 62.5 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.699 179.911 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.826 HD11 HD21 ' A' ' 38' ' ' LEU . 49.5 mt -71.52 -35.2 55.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.264 179.639 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -62.02 -28.63 69.71 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.209 178.696 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 24.2 m -73.87 -45.67 49.53 Favored 'General case' 0 C--N 1.332 -0.192 0 N-CA-C 109.611 -0.514 . . . . 0.0 109.611 179.253 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.738 ' O ' HG23 ' A' ' 17' ' ' THR . 59.8 t80 -64.48 -38.66 91.78 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.916 -0.584 . . . . 0.0 109.82 178.834 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . 0.452 ' CZ ' ' CG2' ' A' ' 10' ' ' ILE . 8.1 m-30 -72.51 -46.02 56.62 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.581 -0.736 . . . . 0.0 110.294 179.618 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 3.5 mmpt? -65.63 -39.25 91.26 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.646 179.454 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.56 ' HB1' ' HB3' ' A' ' 21' ' ' LEU . . . -68.89 -38.45 79.65 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.939 -0.573 . . . . 0.0 111.821 -179.503 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.738 HG23 ' O ' ' A' ' 13' ' ' TYR . 39.5 p -66.17 -32.54 74.04 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.869 0.366 . . . . 0.0 110.608 179.848 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -74.44 -45.54 45.79 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.504 -179.731 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . 0.744 ' CE ' HD12 ' A' ' 21' ' ' LEU . 4.9 ptp -83.37 -14.21 53.28 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 112.295 0.48 . . . . 0.0 112.295 -179.38 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 11.6 m-80 75.09 38.95 0.41 Allowed 'General case' 0 N--CA 1.463 0.189 0 CA-C-O 121.27 0.557 . . . . 0.0 109.84 -178.806 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.775 HD23 ' N ' ' A' ' 22' ' ' ASN . 2.4 tt -55.44 160.63 2.27 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 115.365 -0.834 . . . . 0.0 110.592 -179.76 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . 0.775 ' N ' HD23 ' A' ' 21' ' ' LEU . 4.8 t-20 -41.99 132.28 3.2 Favored 'General case' 0 N--CA 1.47 0.575 0 N-CA-C 112.15 0.426 . . . . 0.0 112.15 -179.655 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 2.3 tpp180 -55.61 -27.9 52.13 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.011 -0.541 . . . . 0.0 111.774 -179.442 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 9.5 m-20 -69.31 -36.56 77.11 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.698 0.285 . . . . 0.0 110.922 -179.744 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . 0.813 ' CD2' HD11 ' A' ' 29' ' ' ILE . 4.9 t80 -74.94 -42.3 57.98 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 109.275 -0.639 . . . . 0.0 109.275 179.13 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 57.7 mt -60.45 -44.44 96.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 115.559 -0.746 . . . . 0.0 109.896 178.783 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -72.77 -33.41 66.29 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.242 179.433 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.598 HD23 ' N ' ' A' ' 29' ' ' ILE . 0.7 OUTLIER -66.35 -47.41 73.53 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.723 -0.671 . . . . 0.0 110.038 179.491 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.813 HD11 ' CD2' ' A' ' 25' ' ' PHE . 6.7 mt -67.9 -32.34 55.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.166 179.267 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.411 ' HB2' ' CE1' ' A' ' 13' ' ' TYR . 3.4 tt0 -76.33 -33.22 59.0 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.96 -0.563 . . . . 0.0 110.093 179.25 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 43.2 m-20 -68.01 -29.26 68.22 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.982 179.73 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 1.4 tp10 -80.43 -46.84 15.28 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 109.428 -0.582 . . . . 0.0 109.428 179.175 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.701 HG23 ' HB3' ' A' ' 38' ' ' LEU . 46.2 mt -63.68 -31.89 54.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-N 115.314 -0.857 . . . . 0.0 109.702 178.53 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 20.1 mttt -71.65 -48.37 48.21 Favored 'General case' 0 N--CA 1.456 -0.157 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.232 179.473 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 58.0 ttt180 -70.33 -23.52 62.84 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.703 179.028 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 18.7 mtt180 -82.75 5.44 21.4 Favored 'General case' 0 CA--C 1.535 0.369 0 CA-C-N 116.27 -0.423 . . . . 0.0 112.001 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 33.7 t 61.51 34.98 17.7 Favored 'General case' 0 C--O 1.232 0.147 0 CA-C-O 121.077 0.465 . . . . 0.0 110.386 -179.82 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.826 HD21 HD11 ' A' ' 10' ' ' ILE . 8.1 tp -123.01 26.83 7.93 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.639 -0.709 . . . . 0.0 110.567 -179.656 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -71.34 -7.2 63.27 Favored Glycine 0 C--N 1.335 0.489 0 C-N-CA 121.006 -0.616 . . . . 0.0 113.025 179.773 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 16.7 t60 -83.92 -31.74 25.48 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 109.587 -0.523 . . . . 0.0 109.587 178.795 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.729 HG22 ' O ' ' A' ' 38' ' ' LEU . 6.1 tp . . . . . 0 CA--C 1.533 0.317 0 CA-C-N 115.787 -0.642 . . . . 0.0 109.982 179.0 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 . . . . . 0 N--CA 1.456 -0.146 0 CA-C-O 120.862 0.363 . . . . 0.0 110.459 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -81.51 -38.33 26.44 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.863 -0.608 . . . . 0.0 111.176 179.595 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.431 HD23 HG12 ' A' ' 33' ' ' ILE . 12.4 tp -75.48 -36.61 60.6 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.367 -179.511 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.647 HD11 HD21 ' A' ' 38' ' ' LEU . 70.5 mt -75.15 -40.11 43.83 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-O 120.784 0.326 . . . . 0.0 110.457 179.92 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -60.91 -28.9 69.26 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.309 178.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 1.6 t -74.81 -44.27 50.28 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-O 121.072 0.463 . . . . 0.0 109.903 179.254 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.567 ' O ' HG23 ' A' ' 17' ' ' THR . 44.6 t80 -69.58 -36.59 76.41 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.646 -0.706 . . . . 0.0 110.11 179.297 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . 0.599 ' CE1' HG23 ' A' ' 10' ' ' ILE . 6.1 m-30 -75.09 -38.67 61.12 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.703 -0.681 . . . . 0.0 110.41 179.837 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 3.2 mmpt? -66.47 -54.87 19.2 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.403 179.018 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.594 ' HB1' ' HB3' ' A' ' 21' ' ' LEU . . . -59.59 -31.58 69.6 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.915 -0.584 . . . . 0.0 111.66 -179.623 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.567 HG23 ' O ' ' A' ' 13' ' ' TYR . 5.4 p -69.85 -32.78 71.35 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.878 0.371 . . . . 0.0 110.369 179.754 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -77.6 -46.21 22.86 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.365 -179.885 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . 0.832 ' CE ' HD12 ' A' ' 21' ' ' LEU . 3.1 ptt? -81.8 -15.43 54.24 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.177 -0.465 . . . . 0.0 112.186 -179.449 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 6.3 m120 73.99 39.62 0.5 Allowed 'General case' 0 N--CA 1.463 0.183 0 CA-C-O 121.139 0.495 . . . . 0.0 110.099 -178.907 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.832 HD12 ' CE ' ' A' ' 19' ' ' MET . 2.6 tt -55.98 160.99 2.51 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.544 -0.753 . . . . 0.0 110.571 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . 0.789 ' N ' HD23 ' A' ' 21' ' ' LEU . 6.4 t-20 -40.86 136.53 1.41 Allowed 'General case' 0 N--CA 1.471 0.596 0 N-CA-C 112.336 0.495 . . . . 0.0 112.336 -179.65 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -55.47 -33.09 63.35 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.945 -0.571 . . . . 0.0 111.738 -179.365 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -64.56 -35.05 79.72 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.552 -0.295 . . . . 0.0 111.217 -179.502 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . 0.784 ' CD2' HD11 ' A' ' 29' ' ' ILE . 4.5 t80 -74.81 -45.31 44.31 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 109.551 -0.537 . . . . 0.0 109.551 179.389 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 45.7 mt -61.82 -41.84 92.24 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 115.7 -0.682 . . . . 0.0 110.031 179.023 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -73.58 -33.73 64.78 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.112 0.482 . . . . 0.0 110.248 179.344 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.577 HD23 ' N ' ' A' ' 29' ' ' ILE . 0.8 OUTLIER -68.64 -45.67 71.2 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.653 -0.703 . . . . 0.0 110.228 179.597 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.784 HD11 ' CD2' ' A' ' 25' ' ' PHE . 10.3 mt -68.11 -32.66 56.95 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.062 179.356 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.412 ' HB2' ' CE1' ' A' ' 13' ' ' TYR . 4.7 tm-20 -76.6 -33.0 58.43 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.516 179.372 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 43.6 m-20 -67.04 -32.59 73.89 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.945 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . 0.413 ' HG2' HD21 ' A' ' 9' ' ' LEU . 48.4 tt0 -79.16 -45.58 19.66 Favored 'General case' 0 C--N 1.328 -0.37 0 CA-C-O 121.317 0.579 . . . . 0.0 109.469 179.177 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.632 HG23 ' HB3' ' A' ' 38' ' ' LEU . 81.5 mt -63.08 -31.52 52.92 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-N 115.341 -0.845 . . . . 0.0 109.576 178.513 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 17.1 mmtt -71.59 -49.29 41.79 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.637 179.559 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.85 -22.92 63.23 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.767 179.203 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -83.71 6.66 20.23 Favored 'General case' 0 CA--C 1.533 0.319 0 N-CA-C 112.171 0.434 . . . . 0.0 112.171 -179.865 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 26.9 t 61.75 34.73 17.18 Favored 'General case' 0 C--O 1.23 0.067 0 CA-C-O 121.221 0.534 . . . . 0.0 110.182 -179.502 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.647 HD21 HD11 ' A' ' 10' ' ' ILE . 11.4 tp -122.46 22.38 9.99 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.283 -0.871 . . . . 0.0 110.762 -179.432 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -76.81 -2.14 75.34 Favored Glycine 0 C--N 1.335 0.527 0 C-N-CA 120.747 -0.74 . . . . 0.0 113.053 179.864 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 4.9 p-80 -88.99 -30.75 18.52 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 117.151 0.475 . . . . 0.0 109.934 179.147 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.507 HG12 HD13 ' A' ' 10' ' ' ILE . 5.6 tp . . . . . 0 CA--C 1.531 0.221 0 CA-C-O 121.605 0.717 . . . . 0.0 109.25 179.353 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.289 0 N-CA-C 110.271 -0.27 . . . . 0.0 110.271 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 5.4 mp -79.79 -40.84 27.74 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.533 179.119 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.414 HD21 HG13 ' A' ' 33' ' ' ILE . 10.6 tp -61.65 -42.57 99.09 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.052 -0.522 . . . . 0.0 109.707 179.005 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.881 HD11 HD21 ' A' ' 38' ' ' LEU . 22.0 mt -73.68 -35.03 42.9 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.527 0 CA-C-N 115.688 -0.687 . . . . 0.0 109.804 178.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -61.17 -28.55 69.21 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.007 -0.542 . . . . 0.0 109.948 178.424 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -74.33 -46.45 40.75 Favored 'General case' 0 CA--C 1.52 -0.185 0 N-CA-C 109.445 -0.576 . . . . 0.0 109.445 179.104 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.827 ' O ' HG23 ' A' ' 17' ' ' THR . 74.2 t80 -62.89 -38.23 90.07 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.785 -0.643 . . . . 0.0 109.84 178.841 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . 0.457 ' CE1' ' CG2' ' A' ' 10' ' ' ILE . 5.4 m-30 -73.01 -50.0 25.62 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.498 -0.774 . . . . 0.0 110.227 179.659 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 7.9 mmpt? -61.34 -43.01 99.59 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.503 179.364 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.522 ' HB1' ' HB3' ' A' ' 21' ' ' LEU . . . -62.11 -39.24 91.84 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.827 -0.624 . . . . 0.0 111.807 -179.43 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.827 HG23 ' O ' ' A' ' 13' ' ' TYR . 74.7 p -65.87 -32.41 73.91 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.891 0.377 . . . . 0.0 110.457 179.777 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -75.17 -47.57 27.75 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.535 -179.832 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . 0.777 ' HE3' HD12 ' A' ' 21' ' ' LEU . 3.6 ptt? -81.27 -13.76 58.13 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 112.272 0.471 . . . . 0.0 112.272 -179.417 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 10.4 m120 74.52 38.3 0.51 Allowed 'General case' 0 N--CA 1.463 0.178 0 CA-C-O 121.226 0.536 . . . . 0.0 110.185 -178.946 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.814 HD23 ' N ' ' A' ' 22' ' ' ASN . 3.2 tt -56.05 157.39 4.61 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 115.531 -0.759 . . . . 0.0 110.608 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . 0.814 ' N ' HD23 ' A' ' 21' ' ' LEU . 4.6 t-20 -43.28 131.52 4.63 Favored 'General case' 0 N--CA 1.468 0.461 0 N-CA-C 112.036 0.384 . . . . 0.0 112.036 -179.57 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -54.41 -27.09 34.45 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.976 -0.557 . . . . 0.0 111.802 -179.443 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 20.5 m-20 -67.24 -36.87 82.55 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.772 0.32 . . . . 0.0 110.824 -179.899 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . 0.784 ' HB3' HD22 ' A' ' 21' ' ' LEU . 2.5 t80 -75.65 -39.96 56.84 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 109.12 -0.696 . . . . 0.0 109.12 179.03 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 67.5 mt -62.83 -47.46 92.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 115.508 -0.769 . . . . 0.0 109.82 178.688 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 3.7 tp10 -69.16 -33.69 73.81 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.236 179.407 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.549 HD23 ' N ' ' A' ' 29' ' ' ILE . 1.1 tt -67.35 -46.81 72.29 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.116 179.483 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.688 HD11 ' CD2' ' A' ' 25' ' ' PHE . 7.7 mt -69.39 -32.35 52.92 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.115 179.221 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.408 ' HB2' ' CE1' ' A' ' 13' ' ' TYR . 9.6 tt0 -76.79 -31.82 57.24 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.219 179.156 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 6.5 m120 -70.48 -28.56 65.08 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.89 -0.596 . . . . 0.0 110.942 179.776 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -80.37 -46.01 16.77 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 109.497 -0.557 . . . . 0.0 109.497 179.254 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.725 HG23 ' HB3' ' A' ' 38' ' ' LEU . 42.8 mt -63.18 -32.02 54.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-N 115.358 -0.837 . . . . 0.0 109.71 178.64 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 27.9 mttt -69.68 -48.56 59.29 Favored 'General case' 0 N--CA 1.455 -0.177 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.32 179.449 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 2.9 tpt180 -70.88 -23.86 62.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.734 179.275 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 27.9 mtt-85 -81.14 3.33 23.9 Favored 'General case' 0 CA--C 1.535 0.37 0 N-CA-C 111.998 0.369 . . . . 0.0 111.998 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 21.5 t 63.29 33.83 13.73 Favored 'General case' 0 C--O 1.231 0.111 0 CA-C-O 121.068 0.461 . . . . 0.0 110.348 -179.824 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.881 HD21 HD11 ' A' ' 10' ' ' ILE . 8.0 tp -122.47 28.1 7.55 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.647 -0.706 . . . . 0.0 110.521 -179.807 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -71.42 -7.2 63.6 Favored Glycine 0 C--N 1.336 0.573 0 C-N-CA 121.017 -0.611 . . . . 0.0 112.993 179.73 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 12.6 t60 -84.21 -32.13 24.7 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 117.331 0.566 . . . . 0.0 109.664 178.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.717 HG22 ' O ' ' A' ' 38' ' ' LEU . 6.3 tp . . . . . 0 CA--C 1.532 0.264 0 CA-C-N 115.747 -0.661 . . . . 0.0 109.963 179.163 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.454 -0.264 0 CA-C-O 120.84 0.352 . . . . 0.0 110.106 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -79.88 -37.11 35.51 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.639 179.323 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.497 HD21 HG13 ' A' ' 33' ' ' ILE . 15.5 tp -75.07 -46.71 32.93 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.773 -0.649 . . . . 0.0 110.827 179.864 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.744 HD13 HG12 ' A' ' 41' ' ' ILE . 58.2 mt -67.72 -34.56 68.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.638 -179.917 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -61.67 -28.77 69.63 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.178 178.584 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . 0.416 ' HB2' HD13 ' A' ' 29' ' ' ILE . 0.7 OUTLIER -72.97 -45.05 60.18 Favored 'General case' 0 N--CA 1.455 -0.181 0 N-CA-C 109.638 -0.505 . . . . 0.0 109.638 179.291 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.783 ' O ' HG23 ' A' ' 17' ' ' THR . 59.6 t80 -64.38 -38.39 90.87 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.781 -0.645 . . . . 0.0 109.768 178.851 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . 0.464 ' CE2' HG22 ' A' ' 10' ' ' ILE . 14.8 m-30 -72.72 -46.41 53.73 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.512 -0.767 . . . . 0.0 110.571 179.682 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 40.7 mtmt -64.44 -45.72 86.27 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.385 179.47 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.408 ' HB1' ' HB3' ' A' ' 21' ' ' LEU . . . -59.78 -37.5 79.24 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.933 -0.576 . . . . 0.0 111.669 -179.805 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.783 HG23 ' O ' ' A' ' 13' ' ' TYR . 47.3 p -68.44 -32.21 72.07 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.895 0.378 . . . . 0.0 110.506 179.811 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -77.77 -44.46 27.52 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.02 -0.536 . . . . 0.0 111.61 -179.764 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . 0.806 ' CE ' HD12 ' A' ' 21' ' ' LEU . 3.8 ptt? -83.79 -15.55 48.01 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 112.172 0.434 . . . . 0.0 112.172 -179.384 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 8.1 m-80 75.6 36.38 0.48 Allowed 'General case' 0 N--CA 1.464 0.268 0 CA-C-O 121.076 0.465 . . . . 0.0 110.155 -179.125 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.823 HD23 ' N ' ' A' ' 22' ' ' ASN . 3.2 tt -56.12 157.68 4.51 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.606 -0.724 . . . . 0.0 110.605 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . 0.823 ' N ' HD23 ' A' ' 21' ' ' LEU . 57.8 t30 -42.37 135.56 2.63 Favored 'General case' 0 N--CA 1.47 0.534 0 N-CA-C 112.148 0.425 . . . . 0.0 112.148 -179.742 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -55.68 -27.93 52.79 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.0 -0.545 . . . . 0.0 111.773 -179.391 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -66.09 -35.68 81.16 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.718 0.294 . . . . 0.0 110.644 -179.831 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . 0.761 ' HB3' HD22 ' A' ' 21' ' ' LEU . 3.4 t80 -74.69 -43.64 54.16 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 109.259 -0.645 . . . . 0.0 109.259 178.943 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 60.6 mt -61.39 -46.32 96.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 115.499 -0.773 . . . . 0.0 110.168 178.902 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -71.0 -33.01 69.98 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.024 0.44 . . . . 0.0 110.412 179.605 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.561 HD23 ' N ' ' A' ' 29' ' ' ILE . 1.0 OUTLIER -68.11 -46.79 69.95 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.824 -0.625 . . . . 0.0 110.145 179.519 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.755 HD11 ' CD2' ' A' ' 25' ' ' PHE . 9.1 mt -69.4 -32.16 52.18 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.07 179.153 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.41 ' HB2' ' CE1' ' A' ' 13' ' ' TYR . 6.9 tt0 -76.41 -32.4 58.48 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.037 -0.528 . . . . 0.0 110.202 179.025 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 7.0 m-20 -70.41 -28.02 64.74 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.937 179.754 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 10.3 tp10 -80.42 -46.88 15.23 Favored 'General case' 0 CA--C 1.519 -0.238 0 N-CA-C 109.446 -0.576 . . . . 0.0 109.446 179.112 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.497 HG13 HD21 ' A' ' 9' ' ' LEU . 40.0 mt -62.87 -32.62 56.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-N 115.371 -0.831 . . . . 0.0 109.841 178.766 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 14.4 mttt -69.0 -48.16 63.75 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.236 -0.438 . . . . 0.0 109.854 179.335 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -69.22 -25.52 64.35 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.477 179.018 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -77.51 0.65 22.01 Favored 'General case' 0 CA--C 1.534 0.357 0 CA-C-N 116.219 -0.446 . . . . 0.0 112.051 179.739 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 31.1 t 61.97 33.82 17.12 Favored 'General case' 0 C--O 1.231 0.114 0 CA-C-O 121.107 0.479 . . . . 0.0 110.089 -179.352 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.809 ' O ' HG22 ' A' ' 41' ' ' ILE . 11.3 tp -123.38 24.51 8.66 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.665 -0.698 . . . . 0.0 110.913 -179.51 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -61.12 -29.03 69.98 Favored Glycine 0 C--N 1.334 0.461 0 C-N-CA 120.321 -0.943 . . . . 0.0 111.905 179.811 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 3.5 t60 -59.03 -24.02 62.47 Favored 'General case' 0 C--N 1.329 -0.303 0 O-C-N 122.59 -0.359 . . . . 0.0 110.937 179.364 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.809 HG22 ' O ' ' A' ' 38' ' ' LEU . 6.4 tp . . . . . 0 CA--C 1.535 0.388 0 CA-C-O 121.067 0.46 . . . . 0.0 110.907 -179.875 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 5.2 mt-10 . . . . . 0 N--CA 1.454 -0.266 0 CA-C-O 120.957 0.408 . . . . 0.0 110.204 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -82.13 -32.53 30.07 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.53 179.336 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.489 HD21 HG13 ' A' ' 33' ' ' ILE . 16.7 tp -75.09 -43.25 54.09 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.739 179.707 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.774 HD11 HD21 ' A' ' 38' ' ' LEU . 72.2 mt -70.91 -36.99 66.36 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.415 179.839 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.2 -28.06 69.41 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 109.964 -0.384 . . . . 0.0 109.964 178.58 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 7.4 m -71.35 -46.62 60.06 Favored 'General case' 0 N--CA 1.455 -0.225 0 N-CA-C 109.532 -0.544 . . . . 0.0 109.532 179.17 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.814 ' O ' HG23 ' A' ' 17' ' ' THR . 79.0 t80 -65.17 -41.97 94.14 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.821 -0.627 . . . . 0.0 109.916 178.941 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . 0.48 ' CE1' HG23 ' A' ' 10' ' ' ILE . 5.8 m-30 -67.45 -42.29 83.33 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.229 179.565 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.402 ' HB3' ' HE1' ' A' ' 19' ' ' MET . 1.7 mmpt? -66.26 -49.06 68.46 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.417 179.412 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.459 ' HA ' ' HE2' ' A' ' 19' ' ' MET . . . -59.83 -30.99 69.32 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.949 -0.569 . . . . 0.0 111.652 -179.721 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.814 HG23 ' O ' ' A' ' 13' ' ' TYR . 68.8 p -72.73 -32.45 65.7 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 109.728 -0.471 . . . . 0.0 109.728 179.208 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -76.23 -50.74 13.66 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.046 179.471 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . 0.616 ' CE ' HD12 ' A' ' 21' ' ' LEU . 0.4 OUTLIER -81.87 -10.1 59.4 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.062 -0.517 . . . . 0.0 112.321 -179.875 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 7.0 m-20 65.34 45.76 2.79 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.176 0.513 . . . . 0.0 110.601 -179.295 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.772 HD23 ' N ' ' A' ' 22' ' ' ASN . 2.3 tt -58.85 161.74 4.64 Favored 'General case' 0 C--N 1.332 -0.196 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.274 179.838 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . 0.772 ' N ' HD23 ' A' ' 21' ' ' LEU . 14.5 t30 -41.08 132.55 2.41 Favored 'General case' 0 N--CA 1.471 0.59 0 N-CA-C 112.181 0.438 . . . . 0.0 112.181 -179.809 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -51.94 -24.88 7.06 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 115.92 -0.582 . . . . 0.0 112.113 -179.319 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -72.59 -34.15 67.22 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.663 0.268 . . . . 0.0 111.25 -179.691 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . 0.76 ' HB3' HD22 ' A' ' 21' ' ' LEU . 2.5 t80 -76.07 -42.01 48.83 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 109.579 -0.526 . . . . 0.0 109.579 179.301 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 52.5 mt -61.67 -42.91 96.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 115.681 -0.69 . . . . 0.0 109.819 178.846 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 4.3 tt0 -74.97 -33.53 61.89 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.287 179.459 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.537 HD23 ' N ' ' A' ' 29' ' ' ILE . 1.1 tt -66.92 -46.8 73.7 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.714 -0.676 . . . . 0.0 110.183 179.612 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.726 HD11 ' CD2' ' A' ' 25' ' ' PHE . 6.0 mt -68.63 -32.58 55.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.01 179.252 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.406 ' HB2' ' CE1' ' A' ' 13' ' ' TYR . 1.8 tt0 -76.7 -32.87 58.14 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.366 179.234 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 39.1 m-20 -68.23 -30.25 69.26 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.98 -0.555 . . . . 0.0 111.018 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 1.7 tp10 -80.16 -46.8 15.75 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 109.391 -0.596 . . . . 0.0 109.391 179.018 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.623 HG23 ' HB3' ' A' ' 38' ' ' LEU . 58.7 mt -63.16 -31.96 54.59 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 CA-C-N 115.265 -0.879 . . . . 0.0 109.598 178.568 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 32.9 mmtt -70.9 -49.05 49.98 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.205 179.412 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 5.7 tmm_? -68.15 -22.85 64.83 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.609 178.913 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 10.7 mtt180 -83.9 7.05 19.42 Favored 'General case' 0 CA--C 1.533 0.306 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.967 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 5.2 t 60.23 32.61 20.88 Favored 'General case' 0 C--O 1.231 0.12 0 CA-C-O 121.027 0.441 . . . . 0.0 110.458 -179.626 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.779 ' O ' HG22 ' A' ' 41' ' ' ILE . 7.3 tp -123.34 23.52 9.01 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.91 -179.41 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -69.69 -8.55 60.55 Favored Glycine 0 C--N 1.337 0.613 0 C-N-CA 120.791 -0.718 . . . . 0.0 113.033 179.822 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 81.4 t60 -81.19 -32.89 33.36 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 109.354 -0.61 . . . . 0.0 109.354 178.68 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.779 HG22 ' O ' ' A' ' 38' ' ' LEU . 6.0 tp . . . . . 0 CA--C 1.535 0.365 0 CA-C-N 115.675 -0.693 . . . . 0.0 109.984 178.809 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.454 -0.225 0 CA-C-O 120.774 0.321 . . . . 0.0 110.324 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -80.11 -36.79 34.86 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.738 179.488 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.439 HD21 HG13 ' A' ' 33' ' ' ILE . 35.0 tp -75.12 -45.83 38.48 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.768 -0.651 . . . . 0.0 111.013 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.75 HD11 ' CD2' ' A' ' 38' ' ' LEU . 59.8 mt -69.17 -33.8 60.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.646 -179.947 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -62.7 -28.77 70.17 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.107 178.666 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -73.02 -45.23 58.9 Favored 'General case' 0 C--N 1.331 -0.196 0 N-CA-C 109.716 -0.475 . . . . 0.0 109.716 179.427 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.762 ' O ' HG23 ' A' ' 17' ' ' THR . 71.9 t80 -66.17 -39.87 90.09 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.813 -0.63 . . . . 0.0 109.892 178.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . 0.457 ' CE1' HG23 ' A' ' 10' ' ' ILE . 6.0 m-30 -70.5 -44.22 68.08 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.214 179.588 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 2.7 mmpt? -65.31 -48.16 74.06 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.343 179.249 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -60.14 -34.78 74.01 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.891 -0.595 . . . . 0.0 111.754 -179.719 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.762 HG23 ' O ' ' A' ' 13' ' ' TYR . 40.4 p -69.46 -32.59 71.61 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.851 0.358 . . . . 0.0 110.277 179.637 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -76.95 -46.74 23.04 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.37 179.929 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . 0.862 ' CE ' HD12 ' A' ' 21' ' ' LEU . 3.2 ptt? -83.77 -9.43 58.81 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 112.415 0.524 . . . . 0.0 112.415 -179.603 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 16.1 m-80 66.28 41.43 3.4 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.102 0.477 . . . . 0.0 110.348 -178.886 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.862 HD12 ' CE ' ' A' ' 19' ' ' MET . 2.8 tt -57.48 159.9 4.56 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.676 -0.693 . . . . 0.0 110.422 179.843 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . 0.8 ' N ' HD23 ' A' ' 21' ' ' LEU . 30.4 t30 -42.16 137.17 1.99 Allowed 'General case' 0 N--CA 1.471 0.582 0 N-CA-C 112.121 0.415 . . . . 0.0 112.121 -179.711 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -55.21 -29.76 58.58 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.786 -179.322 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -66.2 -35.16 79.73 Favored 'General case' 0 C--N 1.327 -0.412 0 C-N-CA 120.948 -0.301 . . . . 0.0 111.152 -179.692 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . 0.788 ' CB ' HD22 ' A' ' 21' ' ' LEU . 2.6 t80 -74.38 -44.66 51.17 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 109.48 -0.563 . . . . 0.0 109.48 179.241 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 53.1 mt -61.61 -43.33 96.85 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 115.547 -0.751 . . . . 0.0 110.17 179.001 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -73.32 -34.07 65.5 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.07 0.462 . . . . 0.0 110.255 179.578 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.566 HD23 ' N ' ' A' ' 29' ' ' ILE . 0.9 OUTLIER -67.41 -46.47 73.12 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.054 179.5 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.682 HD11 ' CD2' ' A' ' 25' ' ' PHE . 6.7 mt -68.86 -32.2 53.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.14 179.312 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -76.53 -32.95 58.56 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.152 179.249 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 49.6 m-20 -70.0 -28.09 65.23 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.889 -0.596 . . . . 0.0 111.005 179.808 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 8.3 tp10 -80.54 -46.73 15.31 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 109.411 -0.588 . . . . 0.0 109.411 179.219 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.686 HG23 ' HB3' ' A' ' 38' ' ' LEU . 44.1 mt -64.8 -32.81 59.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-N 115.286 -0.87 . . . . 0.0 109.704 178.604 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 14.9 mmtt -69.82 -44.97 68.88 Favored 'General case' 0 N--CA 1.455 -0.188 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.096 179.332 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 1.7 ttt-85 -70.94 -24.6 62.47 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.486 178.831 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 7.6 mtt180 -82.85 5.84 20.38 Favored 'General case' 0 CA--C 1.533 0.298 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.992 179.778 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 48.3 t 60.38 34.5 20.66 Favored 'General case' 0 C--O 1.232 0.158 0 CA-C-O 121.13 0.49 . . . . 0.0 110.331 -179.632 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.788 ' O ' HG22 ' A' ' 41' ' ' ILE . 8.9 tp -123.04 16.87 10.02 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.717 -0.674 . . . . 0.0 111.609 -179.288 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -59.56 -25.62 61.13 Favored Glycine 0 C--N 1.336 0.54 0 C-N-CA 120.219 -0.991 . . . . 0.0 112.015 179.709 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 10.8 t60 -61.19 -26.54 67.79 Favored 'General case' 0 C--N 1.33 -0.256 0 O-C-N 122.543 -0.386 . . . . 0.0 110.533 179.065 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.788 HG22 ' O ' ' A' ' 38' ' ' LEU . 6.1 tp . . . . . 0 CA--C 1.535 0.377 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.858 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.456 -0.148 0 CA-C-O 121.139 0.495 . . . . 0.0 109.99 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -78.61 -32.95 47.71 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.584 -0.735 . . . . 0.0 110.337 179.216 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 16.8 tp -75.12 -47.44 28.59 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.502 179.639 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.756 HD11 ' CD2' ' A' ' 38' ' ' LEU . 49.8 mt -67.56 -40.48 84.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.412 179.827 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 27.9 mt-10 -58.9 -30.11 67.56 Favored 'General case' 0 C--O 1.22 -0.5 0 N-CA-C 109.952 -0.388 . . . . 0.0 109.952 178.519 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -67.7 -46.13 73.12 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.182 -0.463 . . . . 0.0 109.769 179.169 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.835 ' O ' HG23 ' A' ' 17' ' ' THR . 72.9 t80 -64.07 -41.05 97.48 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.151 179.069 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . 0.457 ' CZ ' ' CG2' ' A' ' 10' ' ' ILE . 7.3 m-30 -70.03 -49.02 55.5 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.393 -0.822 . . . . 0.0 111.053 -179.894 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.419 ' HD2' ' N ' ' A' ' 15' ' ' LYS . 0.0 OUTLIER -59.92 -45.25 93.19 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.471 179.84 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.492 ' HB1' ' HB3' ' A' ' 21' ' ' LEU . . . -61.65 -37.47 84.17 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.921 -0.582 . . . . 0.0 112.117 -179.413 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.835 HG23 ' O ' ' A' ' 13' ' ' TYR . 78.1 p -67.59 -32.17 72.72 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.885 0.374 . . . . 0.0 110.596 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -77.64 -46.42 22.08 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.501 -179.868 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . 0.826 ' CE ' HD12 ' A' ' 21' ' ' LEU . 4.0 ptp -81.05 -15.28 56.5 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.969 -179.711 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 10.4 m-80 75.36 36.79 0.48 Allowed 'General case' 0 N--CA 1.464 0.231 0 CA-C-O 121.11 0.481 . . . . 0.0 110.122 -179.109 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.826 HD12 ' CE ' ' A' ' 19' ' ' MET . 3.0 tt -56.83 158.43 4.76 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.686 -0.688 . . . . 0.0 110.431 179.944 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . 0.809 ' N ' HD23 ' A' ' 21' ' ' LEU . 35.0 t30 -42.54 134.8 2.98 Favored 'General case' 0 N--CA 1.471 0.579 0 N-CA-C 112.078 0.399 . . . . 0.0 112.078 -179.57 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -56.28 -27.97 57.15 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.771 -179.396 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 1.7 t0 -65.48 -36.99 85.53 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.817 0.341 . . . . 0.0 110.693 -179.842 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . 0.739 ' CD2' HD11 ' A' ' 29' ' ' ILE . 3.3 t80 -74.23 -42.7 59.29 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 109.209 -0.663 . . . . 0.0 109.209 178.918 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 72.1 mt -60.95 -45.47 98.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 115.341 -0.845 . . . . 0.0 110.098 178.834 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -73.53 -33.27 64.65 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.437 179.75 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.574 HD23 ' N ' ' A' ' 29' ' ' ILE . 0.9 OUTLIER -67.07 -46.84 73.09 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.088 179.468 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.739 HD11 ' CD2' ' A' ' 25' ' ' PHE . 8.5 mt -68.87 -32.76 55.99 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.149 179.251 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -76.66 -32.13 57.75 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.277 179.296 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 6.8 m-20 -70.3 -28.69 65.38 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.046 -0.524 . . . . 0.0 111.06 179.808 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 16.5 tp10 -80.39 -45.74 17.19 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.271 0.558 . . . . 0.0 109.561 179.202 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.723 HG23 ' HB3' ' A' ' 38' ' ' LEU . 46.4 mt -64.03 -32.02 55.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-N 115.317 -0.856 . . . . 0.0 109.802 178.707 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 59.9 mttt -70.73 -47.32 60.35 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.135 179.305 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 10.4 ttt85 -70.67 -23.79 62.57 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.589 179.068 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 5.7 mtt180 -83.02 5.86 20.76 Favored 'General case' 0 CA--C 1.534 0.352 0 CA-C-N 116.341 -0.391 . . . . 0.0 112.05 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 8.6 t 60.91 34.38 19.55 Favored 'General case' 0 C--O 1.232 0.141 0 CA-C-O 121.039 0.447 . . . . 0.0 110.466 -179.796 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.756 ' CD2' HD11 ' A' ' 10' ' ' ILE . 9.0 tp -122.6 26.92 8.07 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.676 -0.693 . . . . 0.0 110.478 -179.656 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -70.61 -7.88 62.1 Favored Glycine 0 C--N 1.336 0.566 0 C-N-CA 121.082 -0.58 . . . . 0.0 113.146 179.889 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 39.4 p-80 -83.34 -31.53 26.75 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 117.281 0.541 . . . . 0.0 109.553 178.823 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.755 HG12 HD13 ' A' ' 10' ' ' ILE . 6.2 tp . . . . . 0 CA--C 1.533 0.296 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.046 179.161 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.454 -0.247 0 CA-C-O 120.773 0.321 . . . . 0.0 110.499 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -80.54 -36.95 32.38 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.24 179.776 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 20.3 tp -75.47 -36.93 60.56 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.426 -179.657 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.705 HD11 HD21 ' A' ' 38' ' ' LEU . 73.0 mt -74.34 -40.07 49.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-O 120.682 0.277 . . . . 0.0 110.809 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -61.88 -27.99 69.18 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 110.082 -0.34 . . . . 0.0 110.082 178.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -74.54 -44.97 48.58 Favored 'General case' 0 N--CA 1.456 -0.153 0 CA-C-O 121.008 0.432 . . . . 0.0 109.954 179.429 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.58 ' O ' HG23 ' A' ' 17' ' ' THR . 64.0 t80 -66.88 -36.74 82.98 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.774 -0.648 . . . . 0.0 109.904 179.043 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . 0.457 ' CZ ' HG23 ' A' ' 10' ' ' ILE . 7.6 m-30 -75.42 -41.17 56.65 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.522 -0.763 . . . . 0.0 110.703 179.892 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -67.02 -47.8 70.32 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.69 179.473 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.572 ' HB1' ' HB3' ' A' ' 21' ' ' LEU . . . -65.34 -35.85 82.24 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.989 -0.551 . . . . 0.0 111.619 -179.549 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.58 HG23 ' O ' ' A' ' 13' ' ' TYR . 11.6 p -67.39 -32.4 73.27 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.977 0.417 . . . . 0.0 110.544 179.88 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -74.68 -46.29 38.9 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.416 -179.759 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . 0.785 ' CE ' HD12 ' A' ' 21' ' ' LEU . 3.9 ptt? -82.73 -14.13 55.1 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.124 -0.489 . . . . 0.0 112.178 -179.387 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 11.0 m-80 74.41 38.01 0.54 Allowed 'General case' 0 N--CA 1.464 0.228 0 CA-C-O 121.164 0.506 . . . . 0.0 109.912 -178.895 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.808 HD23 ' N ' ' A' ' 22' ' ' ASN . 2.7 tt -53.73 159.66 1.56 Allowed 'General case' 0 CA--C 1.531 0.219 0 CA-C-N 115.566 -0.743 . . . . 0.0 110.738 -179.928 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . 0.808 ' N ' HD23 ' A' ' 21' ' ' LEU . 30.4 t-20 -40.64 137.38 1.16 Allowed 'General case' 0 N--CA 1.472 0.636 0 N-CA-C 112.388 0.514 . . . . 0.0 112.388 -179.744 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 3.7 tpt180 -56.58 -32.06 64.84 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.959 -0.564 . . . . 0.0 111.684 -179.376 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -65.97 -35.52 80.8 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.726 0.298 . . . . 0.0 111.14 -179.603 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . 0.761 ' HB3' HD22 ' A' ' 21' ' ' LEU . 5.9 t80 -73.93 -45.49 50.14 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 179.146 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 47.2 mt -60.94 -46.06 97.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 115.44 -0.8 . . . . 0.0 110.031 178.838 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -68.67 -32.95 73.15 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.014 0.435 . . . . 0.0 110.166 179.302 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.592 HD23 ' N ' ' A' ' 29' ' ' ILE . 0.4 OUTLIER -68.03 -46.09 72.17 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.08 179.424 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.731 HD11 ' CD2' ' A' ' 25' ' ' PHE . 7.2 mt -69.91 -32.31 51.23 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.369 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.039 179.103 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 12.6 tt0 -76.88 -32.58 57.56 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.455 179.29 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 14.3 m-20 -69.37 -31.9 70.59 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.053 -179.83 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -79.28 -45.81 18.99 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 109.325 -0.62 . . . . 0.0 109.325 179.199 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.61 HG23 HD23 ' A' ' 38' ' ' LEU . 86.0 mt -62.06 -31.94 52.89 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 115.43 -0.804 . . . . 0.0 109.736 178.549 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 21.1 mttt -71.54 -49.33 41.85 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.512 179.617 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -70.51 -24.14 62.78 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.794 179.313 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 5.0 mtt-85 -82.98 6.23 19.42 Favored 'General case' 0 CA--C 1.533 0.306 0 N-CA-C 112.154 0.427 . . . . 0.0 112.154 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 3.4 t 61.71 31.91 18.46 Favored 'General case' 0 C--O 1.232 0.148 0 CA-C-O 121.072 0.463 . . . . 0.0 110.23 -179.56 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.705 HD21 HD11 ' A' ' 10' ' ' ILE . 5.3 tp -117.95 21.27 12.93 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.603 -0.726 . . . . 0.0 110.78 -179.862 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -73.39 -4.73 65.29 Favored Glycine 0 C--N 1.337 0.628 0 C-N-CA 120.88 -0.676 . . . . 0.0 113.183 179.905 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 74.6 t60 -88.55 -31.4 18.68 Favored 'General case' 0 N--CA 1.455 -0.196 0 CA-C-N 117.292 0.546 . . . . 0.0 110.401 179.599 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.548 HG12 HD13 ' A' ' 10' ' ' ILE . 5.2 tp . . . . . 0 CA--C 1.533 0.289 0 CA-C-O 121.596 0.712 . . . . 0.0 109.368 179.517 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 . . . . . 0 N--CA 1.454 -0.231 0 CA-C-O 120.913 0.387 . . . . 0.0 110.247 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -80.68 -36.31 32.53 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.844 179.489 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.451 HD21 HG13 ' A' ' 33' ' ' ILE . 26.7 tp -75.14 -44.08 48.96 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.889 179.927 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.682 HD13 HG12 ' A' ' 41' ' ' ILE . 66.2 mt -70.59 -34.39 57.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.486 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 29.6 mt-10 -62.63 -28.67 70.07 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.082 178.827 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 2.0 m -72.87 -46.45 52.8 Favored 'General case' 0 C--N 1.331 -0.215 0 N-CA-C 109.692 -0.485 . . . . 0.0 109.692 179.302 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.685 ' O ' HG23 ' A' ' 17' ' ' THR . 63.2 t80 -64.58 -39.51 93.88 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.935 -0.575 . . . . 0.0 109.895 178.842 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . 0.467 ' CE1' HG23 ' A' ' 10' ' ' ILE . 5.7 m-30 -70.43 -45.42 65.87 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.246 179.6 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 2.1 mmpt? -65.51 -47.6 75.44 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.448 179.463 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.551 ' HB1' ' HB3' ' A' ' 21' ' ' LEU . . . -61.88 -34.87 76.8 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.82 -0.627 . . . . 0.0 111.654 -179.637 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.685 HG23 ' O ' ' A' ' 13' ' ' TYR . 20.7 p -69.16 -32.59 72.03 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.873 0.368 . . . . 0.0 110.378 179.705 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 -75.5 -45.86 35.81 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.059 -0.518 . . . . 0.0 111.476 -179.874 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . 0.768 ' CE ' HD12 ' A' ' 21' ' ' LEU . 3.5 ptt? -82.93 -14.73 53.6 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.036 -0.529 . . . . 0.0 112.127 -179.476 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 9.8 m120 74.46 39.45 0.46 Allowed 'General case' 0 N--CA 1.462 0.17 0 CA-C-O 121.249 0.547 . . . . 0.0 110.119 -178.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.819 HD23 ' N ' ' A' ' 22' ' ' ASN . 3.1 tt -55.82 158.44 3.68 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 115.537 -0.756 . . . . 0.0 110.505 -179.919 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . 0.819 ' N ' HD23 ' A' ' 21' ' ' LEU . 42.0 t-20 -41.7 132.99 2.83 Favored 'General case' 0 N--CA 1.471 0.591 0 N-CA-C 112.137 0.421 . . . . 0.0 112.137 -179.752 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 18.5 tpt180 -53.19 -29.46 32.08 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.973 -0.558 . . . . 0.0 111.974 -179.249 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -67.11 -36.09 81.16 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.77 0.319 . . . . 0.0 111.047 -179.787 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . 0.819 ' CD2' HD11 ' A' ' 29' ' ' ILE . 7.7 t80 -74.26 -43.42 57.0 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 109.237 -0.653 . . . . 0.0 109.237 179.111 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 56.7 mt -61.9 -47.32 93.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 115.464 -0.789 . . . . 0.0 109.896 178.872 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -68.82 -31.18 69.98 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.979 0.419 . . . . 0.0 110.352 179.407 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.591 HD23 ' N ' ' A' ' 29' ' ' ILE . 0.5 OUTLIER -68.74 -46.85 67.78 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.009 179.538 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.819 HD11 ' CD2' ' A' ' 25' ' ' PHE . 9.0 mt -70.17 -31.93 49.12 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-O 120.972 0.415 . . . . 0.0 110.019 179.148 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.412 ' HB2' ' CE1' ' A' ' 13' ' ' TYR . 11.1 tt0 -76.75 -33.28 58.12 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.183 179.156 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 17.1 m-20 -69.09 -29.88 68.06 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.982 179.884 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 8.1 tp10 -80.17 -45.37 18.22 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.249 0.547 . . . . 0.0 109.541 179.204 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.557 HG23 ' HB3' ' A' ' 38' ' ' LEU . 73.5 mt -64.42 -33.48 63.14 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-N 115.385 -0.825 . . . . 0.0 109.62 178.71 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 11.1 mttt -68.19 -47.27 68.39 Favored 'General case' 0 N--CA 1.454 -0.227 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.017 179.388 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 25.8 ttt180 -70.54 -25.51 63.14 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.708 179.291 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 28.8 mtt180 -79.41 1.91 23.67 Favored 'General case' 0 CA--C 1.534 0.339 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.89 179.677 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 8.5 t 61.39 34.28 18.37 Favored 'General case' 0 C--O 1.231 0.128 0 CA-C-O 121.023 0.44 . . . . 0.0 110.034 -179.315 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.799 ' O ' HG22 ' A' ' 41' ' ' ILE . 9.5 tp -123.17 18.12 9.94 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.631 -0.713 . . . . 0.0 111.201 -179.501 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -59.31 -28.8 64.99 Favored Glycine 0 C--N 1.335 0.526 0 C-N-CA 120.526 -0.845 . . . . 0.0 111.903 179.35 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 20.3 p-80 -58.9 -27.75 65.53 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.875 0.369 . . . . 0.0 110.441 179.175 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.799 HG22 ' O ' ' A' ' 38' ' ' LEU . 6.1 tp . . . . . 0 CA--C 1.532 0.281 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.231 179.618 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 . . . . . 0 N--CA 1.455 -0.22 0 CA-C-O 120.759 0.314 . . . . 0.0 110.384 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -82.16 -36.77 27.05 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.974 -0.557 . . . . 0.0 111.178 179.515 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 17.0 tp -75.25 -37.2 61.1 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.381 -179.761 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.636 HD13 HG12 ' A' ' 41' ' ' ILE . 62.4 mt -74.91 -40.25 45.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.462 179.911 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -61.31 -28.33 69.12 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.127 178.907 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 1.7 t -74.22 -44.26 53.86 Favored 'General case' 0 CA--C 1.52 -0.174 0 N-CA-C 109.773 -0.455 . . . . 0.0 109.773 179.249 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.797 ' O ' HG23 ' A' ' 17' ' ' THR . 80.9 t80 -67.74 -39.22 84.26 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.711 -0.677 . . . . 0.0 109.815 179.057 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . 0.458 ' CZ ' ' CG2' ' A' ' 10' ' ' ILE . 10.1 m-30 -72.81 -40.5 65.77 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.531 -0.759 . . . . 0.0 110.595 179.819 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 3.0 mmpt? -66.36 -48.52 69.94 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.407 179.264 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.42 ' HB1' ' HB3' ' A' ' 21' ' ' LEU . . . -59.07 -35.7 73.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.825 -0.625 . . . . 0.0 111.632 -179.647 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.797 HG23 ' O ' ' A' ' 13' ' ' TYR . 68.4 p -70.02 -32.47 70.64 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.882 0.373 . . . . 0.0 110.351 179.661 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -77.41 -44.76 28.06 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.408 -179.802 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . 0.829 ' CE ' HD12 ' A' ' 21' ' ' LEU . 4.0 ptp -83.92 -15.5 47.73 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 112.217 0.451 . . . . 0.0 112.217 -179.356 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 17.4 m-20 74.84 37.69 0.5 Allowed 'General case' 0 N--CA 1.463 0.186 0 CA-C-O 121.135 0.493 . . . . 0.0 110.092 -178.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.829 HD12 ' CE ' ' A' ' 19' ' ' MET . 3.0 tt -56.37 158.64 4.12 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 115.556 -0.747 . . . . 0.0 110.652 -179.893 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . 0.802 ' N ' HD23 ' A' ' 21' ' ' LEU . 37.8 t-20 -43.22 136.69 2.86 Favored 'General case' 0 N--CA 1.469 0.501 0 N-CA-C 112.105 0.409 . . . . 0.0 112.105 -179.681 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 10.7 tpt180 -56.72 -31.11 64.18 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.953 -0.567 . . . . 0.0 111.57 -179.462 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 52.4 m-20 -64.46 -35.12 79.89 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 120.77 0.319 . . . . 0.0 110.964 -179.62 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . 0.894 ' CD2' HD11 ' A' ' 29' ' ' ILE . 6.4 t80 -74.54 -43.73 54.45 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 109.291 -0.633 . . . . 0.0 109.291 179.04 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 53.8 mt -60.37 -46.27 95.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 115.559 -0.746 . . . . 0.0 110.117 178.893 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -68.27 -33.33 74.16 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.136 0.493 . . . . 0.0 110.235 179.375 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.591 HD23 ' N ' ' A' ' 29' ' ' ILE . 0.5 OUTLIER -68.51 -46.12 70.45 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.689 -0.687 . . . . 0.0 110.175 179.615 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.894 HD11 ' CD2' ' A' ' 25' ' ' PHE . 8.4 mt -69.65 -32.7 53.46 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.313 -0.403 . . . . 0.0 109.96 179.183 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 9.1 tt0 -77.16 -32.25 56.13 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.557 179.405 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -70.1 -30.08 67.2 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.14 -179.905 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 3.6 tp10 -80.36 -45.05 18.42 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 109.627 -0.508 . . . . 0.0 109.627 179.273 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.705 HG23 ' HB3' ' A' ' 38' ' ' LEU . 64.3 mt -63.23 -31.84 54.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-N 115.482 -0.781 . . . . 0.0 109.755 178.727 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 24.9 mttt -71.32 -49.17 45.32 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.66 179.707 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -70.61 -23.55 62.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.822 179.291 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 13.1 mtt180 -82.82 5.56 21.18 Favored 'General case' 0 CA--C 1.533 0.311 0 N-CA-C 112.16 0.43 . . . . 0.0 112.16 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 4.5 t 61.51 33.88 18.26 Favored 'General case' 0 C--O 1.231 0.094 0 CA-C-O 121.133 0.492 . . . . 0.0 110.185 -179.502 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.705 ' HB3' HG23 ' A' ' 33' ' ' ILE . 12.8 tp -117.64 3.85 12.36 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.443 -0.798 . . . . 0.0 111.599 -179.622 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -56.65 -24.36 47.45 Favored Glycine 0 C--N 1.34 0.806 0 C-N-CA 120.485 -0.864 . . . . 0.0 112.372 179.88 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 18.0 t60 -62.8 -17.41 61.16 Favored 'General case' 0 C--N 1.329 -0.304 0 O-C-N 122.628 -0.336 . . . . 0.0 111.28 179.393 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.636 HG12 HD13 ' A' ' 10' ' ' ILE . 5.8 tp . . . . . 0 CA--C 1.533 0.305 0 CA-C-O 121.236 0.541 . . . . 0.0 110.716 -179.444 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 . . . . . 0 N--CA 1.455 -0.217 0 CA-C-O 120.898 0.38 . . . . 0.0 110.319 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -80.1 -36.2 35.75 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.762 179.529 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.455 HD21 HG13 ' A' ' 33' ' ' ILE . 27.3 tp -74.98 -45.37 42.55 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.903 -0.589 . . . . 0.0 110.87 179.902 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.769 HD11 HD21 ' A' ' 38' ' ' LEU . 60.2 mt -69.27 -35.82 69.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.598 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 24.5 mt-10 -62.2 -28.86 69.97 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 109.992 -0.373 . . . . 0.0 109.992 178.53 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 2.0 m -70.66 -45.28 65.41 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 121.122 0.487 . . . . 0.0 109.806 179.245 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.796 ' O ' HG23 ' A' ' 17' ' ' THR . 78.4 t80 -65.33 -40.6 93.9 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.743 -0.662 . . . . 0.0 109.953 179.083 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . 0.456 ' CZ ' ' CG2' ' A' ' 10' ' ' ILE . 10.2 m-30 -69.66 -45.86 67.44 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.584 -0.734 . . . . 0.0 110.64 179.751 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -63.76 -45.48 89.61 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.583 179.518 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.421 ' HB1' ' HB3' ' A' ' 21' ' ' LEU . . . -62.19 -35.75 79.8 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.769 -179.612 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.796 HG23 ' O ' ' A' ' 13' ' ' TYR . 59.9 p -68.79 -32.34 71.99 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 120.915 0.388 . . . . 0.0 110.509 179.796 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -77.2 -45.07 27.84 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.551 -179.774 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . 0.843 ' CE ' HD12 ' A' ' 21' ' ' LEU . 3.9 ptt? -83.45 -15.78 48.27 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 112.144 0.424 . . . . 0.0 112.144 -179.42 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 11.9 m-80 75.04 37.22 0.49 Allowed 'General case' 0 N--CA 1.463 0.207 0 CA-C-O 121.117 0.484 . . . . 0.0 109.939 -178.938 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.843 HD12 ' CE ' ' A' ' 19' ' ' MET . 2.7 tt -55.05 160.13 2.17 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.57 -0.741 . . . . 0.0 110.718 -179.927 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . 0.792 ' N ' HD23 ' A' ' 21' ' ' LEU . 30.8 t-20 -42.52 134.22 3.13 Favored 'General case' 0 N--CA 1.47 0.558 0 CA-C-O 120.982 0.42 . . . . 0.0 112.079 -179.661 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 3.8 tpt180 -54.98 -27.04 40.9 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.964 -0.562 . . . . 0.0 111.893 -179.355 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -68.14 -35.73 78.54 Favored 'General case' 0 C--N 1.327 -0.395 0 C-N-CA 121.005 -0.278 . . . . 0.0 111.02 -179.717 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . 0.763 ' CD2' HD11 ' A' ' 29' ' ' ILE . 3.3 t80 -75.23 -42.78 54.55 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 109.416 -0.587 . . . . 0.0 109.416 179.225 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 56.2 mt -60.92 -43.01 94.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 115.577 -0.738 . . . . 0.0 109.985 178.858 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -74.99 -32.99 61.8 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.349 179.573 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.577 HD23 ' N ' ' A' ' 29' ' ' ILE . 0.8 OUTLIER -67.87 -46.16 72.48 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.76 -0.655 . . . . 0.0 110.223 179.696 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.763 HD11 ' CD2' ' A' ' 25' ' ' PHE . 8.7 mt -69.35 -32.44 53.4 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.197 179.302 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.407 ' HB2' ' CE1' ' A' ' 13' ' ' TYR . 1.1 tt0 -76.63 -32.43 58.02 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.96 -0.563 . . . . 0.0 110.207 179.231 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 51.6 m-20 -70.55 -28.44 64.91 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.928 -0.578 . . . . 0.0 111.057 179.857 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 6.8 tt0 -80.5 -46.82 15.22 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 109.436 -0.579 . . . . 0.0 109.436 179.157 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.686 HG23 ' HB3' ' A' ' 38' ' ' LEU . 50.9 mt -64.04 -31.96 55.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-N 115.35 -0.841 . . . . 0.0 109.692 178.641 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 19.8 mmtt -70.57 -47.44 60.23 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.216 179.275 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -69.67 -23.46 63.46 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.573 178.919 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 6.7 mtp180 -83.37 6.17 20.88 Favored 'General case' 0 CA--C 1.533 0.304 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.948 179.827 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 3.3 t 60.91 34.15 19.63 Favored 'General case' 0 C--O 1.23 0.077 0 CA-C-O 121.075 0.464 . . . . 0.0 110.368 -179.661 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.774 ' O ' HG22 ' A' ' 41' ' ' ILE . 9.0 tp -123.2 15.19 9.8 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.658 -0.701 . . . . 0.0 111.664 -179.383 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -58.83 -25.93 59.77 Favored Glycine 0 C--N 1.338 0.648 0 C-N-CA 120.183 -1.008 . . . . 0.0 111.96 179.551 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 9.9 p-80 -60.76 -24.48 65.78 Favored 'General case' 0 C--N 1.328 -0.338 0 O-C-N 122.585 -0.362 . . . . 0.0 110.526 178.916 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.774 HG22 ' O ' ' A' ' 38' ' ' LEU . 6.2 tp . . . . . 0 CA--C 1.534 0.364 0 CA-C-O 121.059 0.457 . . . . 0.0 110.863 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 . . . . . 0 N--CA 1.456 -0.156 0 CA-C-O 120.855 0.36 . . . . 0.0 110.381 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -80.99 -34.46 32.95 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.872 -0.603 . . . . 0.0 110.668 179.482 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.522 HD21 HG13 ' A' ' 33' ' ' ILE . 20.2 tp -75.18 -43.71 50.69 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.877 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.794 HD11 HD21 ' A' ' 38' ' ' LEU . 60.4 mt -71.58 -34.4 52.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.53 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -63.69 -28.66 70.05 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.174 178.955 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . 0.564 ' OG ' HG21 ' A' ' 29' ' ' ILE . 77.6 p -74.67 -43.03 57.3 Favored 'General case' 0 C--N 1.331 -0.2 0 N-CA-C 109.722 -0.473 . . . . 0.0 109.722 179.389 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.703 ' O ' HG23 ' A' ' 17' ' ' THR . 74.7 t80 -66.53 -38.83 87.99 Favored 'General case' 0 C--N 1.331 -0.211 0 N-CA-C 109.558 -0.534 . . . . 0.0 109.558 178.749 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . 0.461 ' CE1' HG23 ' A' ' 10' ' ' ILE . 6.4 m-30 -72.0 -46.85 55.7 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.522 -0.763 . . . . 0.0 110.309 179.704 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 2.8 mmpt? -64.11 -45.1 90.12 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.408 179.337 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.545 ' HB1' ' HB3' ' A' ' 21' ' ' LEU . . . -63.15 -38.18 90.15 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.773 -0.648 . . . . 0.0 111.672 -179.627 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.703 HG23 ' O ' ' A' ' 13' ' ' TYR . 24.7 p -66.17 -32.48 73.94 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.859 0.361 . . . . 0.0 110.555 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 5.0 mt-10 -75.35 -46.33 33.8 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.508 -179.718 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . 0.766 ' HE3' HD12 ' A' ' 21' ' ' LEU . 3.7 ptt? -82.1 -14.19 56.13 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.217 -0.447 . . . . 0.0 112.187 -179.436 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 1.2 m-20 74.56 39.43 0.45 Allowed 'General case' 0 N--CA 1.461 0.123 0 CA-C-O 121.197 0.523 . . . . 0.0 110.084 -178.839 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.804 HD22 ' HB3' ' A' ' 25' ' ' PHE . 2.8 tt -55.57 159.3 2.96 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 115.479 -0.782 . . . . 0.0 110.448 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . 0.798 ' N ' HD23 ' A' ' 21' ' ' LEU . 50.0 t30 -42.14 132.52 3.27 Favored 'General case' 0 N--CA 1.471 0.599 0 N-CA-C 112.088 0.403 . . . . 0.0 112.088 -179.757 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 2.2 tpp180 -54.62 -27.14 37.36 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.956 -0.565 . . . . 0.0 111.836 -179.342 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 1.4 t0 -68.8 -37.03 78.96 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.738 0.304 . . . . 0.0 110.952 -179.86 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . 0.804 ' HB3' HD22 ' A' ' 21' ' ' LEU . 5.9 t80 -74.99 -41.54 59.3 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 109.5 -0.555 . . . . 0.0 109.5 179.219 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 59.3 mt -62.18 -42.89 96.9 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 115.561 -0.745 . . . . 0.0 109.955 178.929 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -73.51 -33.43 64.77 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.005 0.431 . . . . 0.0 110.199 179.296 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.634 HD23 ' N ' ' A' ' 29' ' ' ILE . 0.4 OUTLIER -65.51 -47.71 75.04 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.727 -0.669 . . . . 0.0 109.982 179.367 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.758 HD11 ' CD2' ' A' ' 25' ' ' PHE . 7.3 mt -68.13 -32.11 54.62 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.376 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.207 179.248 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -75.96 -33.31 59.78 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.087 179.22 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 52.6 m-20 -68.2 -29.14 67.92 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.872 -0.603 . . . . 0.0 110.949 179.69 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -80.46 -47.17 14.72 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 109.464 -0.569 . . . . 0.0 109.464 179.077 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.715 HG23 ' HB3' ' A' ' 38' ' ' LEU . 48.5 mt -63.66 -31.96 55.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-N 115.307 -0.86 . . . . 0.0 109.654 178.632 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 14.3 mttt -71.51 -47.67 53.81 Favored 'General case' 0 N--CA 1.455 -0.189 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.217 179.462 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 6.2 ttt180 -71.0 -23.44 62.19 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.683 178.96 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 78.6 mtt180 -83.03 5.46 22.19 Favored 'General case' 0 CA--C 1.534 0.351 0 CA-C-N 116.33 -0.396 . . . . 0.0 111.937 179.876 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 47.7 t 61.42 35.12 17.91 Favored 'General case' 0 C--O 1.231 0.098 0 CA-C-O 121.083 0.468 . . . . 0.0 110.407 -179.922 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.794 HD21 HD11 ' A' ' 10' ' ' ILE . 8.2 tp -123.14 25.17 8.58 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.725 -0.671 . . . . 0.0 110.687 -179.592 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -69.02 -9.56 60.18 Favored Glycine 0 C--N 1.336 0.572 0 C-N-CA 120.982 -0.627 . . . . 0.0 112.963 179.815 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -81.7 -29.15 33.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 117.363 0.582 . . . . 0.0 109.889 178.944 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.744 HG22 ' O ' ' A' ' 38' ' ' LEU . 6.2 tp . . . . . 0 CA--C 1.533 0.303 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.207 179.316 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 . . . . . 0 N--CA 1.455 -0.204 0 CA-C-O 120.856 0.36 . . . . 0.0 110.378 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -82.25 -37.48 25.86 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.046 179.576 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 18.8 tp -75.22 -37.54 61.06 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.223 -179.816 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.699 HD11 HD21 ' A' ' 38' ' ' LEU . 62.8 mt -75.83 -37.35 34.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-O 120.837 0.351 . . . . 0.0 110.326 179.8 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 32.1 mt-10 -62.22 -29.2 70.22 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.211 178.921 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . 0.475 ' OG ' HG21 ' A' ' 29' ' ' ILE . 95.7 p -74.71 -43.76 53.43 Favored 'General case' 0 C--N 1.331 -0.214 0 N-CA-C 109.826 -0.435 . . . . 0.0 109.826 179.26 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.645 ' O ' HG23 ' A' ' 17' ' ' THR . 59.8 t80 -68.19 -37.78 81.29 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.823 -0.626 . . . . 0.0 109.857 178.945 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . 0.46 ' CZ ' ' CG2' ' A' ' 10' ' ' ILE . 8.1 m-30 -73.92 -41.37 62.17 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.698 -0.683 . . . . 0.0 110.481 179.835 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 1.5 mmpt? -64.94 -48.68 73.22 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.649 179.323 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.69 ' HB1' ' HB3' ' A' ' 21' ' ' LEU . . . -64.18 -35.21 80.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.935 -0.575 . . . . 0.0 111.759 -179.493 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.645 HG23 ' O ' ' A' ' 13' ' ' TYR . 16.2 p -66.21 -32.71 74.3 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.895 0.379 . . . . 0.0 110.512 179.791 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -74.86 -48.69 23.64 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.298 -179.884 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . 0.72 ' HE3' HD12 ' A' ' 21' ' ' LEU . 3.7 ptt? -80.35 -12.02 59.64 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.032 -0.531 . . . . 0.0 112.359 -179.472 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER 72.51 42.34 0.53 Allowed 'General case' 0 N--CA 1.463 0.224 0 CA-C-O 121.22 0.533 . . . . 0.0 109.966 -179.004 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.829 HD22 ' HB3' ' A' ' 25' ' ' PHE . 2.9 tt -57.11 158.3 5.26 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.499 -0.773 . . . . 0.0 110.52 -179.894 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . 0.801 ' N ' HD23 ' A' ' 21' ' ' LEU . 61.8 t30 -42.97 136.66 2.65 Favored 'General case' 0 N--CA 1.471 0.587 0 N-CA-C 112.159 0.429 . . . . 0.0 112.159 -179.645 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.81 -32.02 63.18 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.966 -0.561 . . . . 0.0 111.823 -179.354 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -65.32 -35.59 81.46 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.718 0.294 . . . . 0.0 111.202 -179.51 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . 0.912 ' CD2' HD11 ' A' ' 29' ' ' ILE . 8.3 t80 -74.79 -44.53 49.05 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 109.263 -0.643 . . . . 0.0 109.263 179.184 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 52.5 mt -61.07 -46.14 97.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 115.527 -0.76 . . . . 0.0 110.092 178.851 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 5.2 tt0 -69.22 -32.64 72.02 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.999 0.428 . . . . 0.0 110.07 179.303 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.605 HD23 ' N ' ' A' ' 29' ' ' ILE . 0.4 OUTLIER -66.92 -46.99 73.1 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.706 -0.679 . . . . 0.0 109.812 179.223 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.912 HD11 ' CD2' ' A' ' 25' ' ' PHE . 8.8 mt -68.81 -32.13 53.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.014 179.085 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 8.7 tt0 -76.45 -32.25 58.32 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.311 179.321 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 53.4 m-20 -67.54 -34.74 77.7 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.891 179.79 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 7.2 tt0 -77.03 -46.06 25.04 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 109.353 -0.61 . . . . 0.0 109.353 179.146 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.624 HG23 HD23 ' A' ' 38' ' ' LEU . 85.2 mt -61.2 -31.93 51.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 115.381 -0.827 . . . . 0.0 109.691 178.599 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 11.2 mttt -71.79 -49.41 39.07 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.452 179.647 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.75 -24.22 62.57 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.627 179.377 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -83.11 5.89 21.0 Favored 'General case' 0 CA--C 1.532 0.276 0 N-CA-C 112.159 0.429 . . . . 0.0 112.159 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 23.1 t 61.88 32.75 17.89 Favored 'General case' 0 C--O 1.231 0.11 0 CA-C-O 121.23 0.538 . . . . 0.0 110.285 -179.415 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.699 HD21 HD11 ' A' ' 10' ' ' ILE . 3.5 tp -120.87 17.25 11.81 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.523 -0.762 . . . . 0.0 110.995 -179.783 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -71.36 -7.31 63.6 Favored Glycine 0 C--N 1.337 0.625 0 C-N-CA 120.567 -0.825 . . . . 0.0 112.807 179.524 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 2.7 p-80 -81.26 -29.38 34.4 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 117.238 0.519 . . . . 0.0 110.247 179.348 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.62 HG12 HD13 ' A' ' 10' ' ' ILE . 5.6 tp . . . . . 0 CA--C 1.534 0.331 0 CA-C-O 121.423 0.63 . . . . 0.0 110.014 179.823 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 . . . . . 0 N--CA 1.454 -0.246 0 CA-C-O 120.912 0.387 . . . . 0.0 110.289 . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -81.76 -34.43 30.42 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.504 179.332 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.552 HD12 HG23 ' A' ' 29' ' ' ILE . 38.8 tp -75.44 -45.55 38.02 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.918 179.738 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.693 HD13 HG12 ' A' ' 41' ' ' ILE . 86.7 mt -68.93 -37.82 77.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.832 -179.808 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -60.91 -28.69 69.11 Favored 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 109.798 -0.445 . . . . 0.0 109.798 178.35 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . 0.465 ' HB2' HG21 ' A' ' 29' ' ' ILE . 13.5 m -68.82 -47.65 65.52 Favored 'General case' 0 N--CA 1.455 -0.177 0 CA-C-O 121.069 0.461 . . . . 0.0 109.855 179.21 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.565 ' O ' HG23 ' A' ' 17' ' ' THR . 67.8 t80 -64.61 -36.25 83.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.353 179.212 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . 0.457 ' CZ ' ' CG2' ' A' ' 10' ' ' ILE . 6.9 m-30 -74.61 -41.92 59.58 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.571 -0.741 . . . . 0.0 110.525 -179.955 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.453 ' HB3' ' HE1' ' A' ' 19' ' ' MET . 1.8 mtpt -67.05 -52.8 37.69 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.158 179.296 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.531 ' HA ' ' HE2' ' A' ' 19' ' ' MET . . . -59.44 -30.82 68.77 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.795 -0.639 . . . . 0.0 111.552 -179.905 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.565 HG23 ' O ' ' A' ' 13' ' ' TYR . 5.3 p -71.86 -32.35 67.4 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 109.92 -0.4 . . . . 0.0 109.92 179.259 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 13.3 mt-10 -76.91 -51.63 10.86 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.943 -0.571 . . . . 0.0 111.088 179.49 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . 0.57 ' CE ' HD12 ' A' ' 21' ' ' LEU . 0.1 OUTLIER -77.72 -15.78 58.9 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.971 -179.92 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 11.4 m120 73.32 42.89 0.4 Allowed 'General case' 0 N--CA 1.464 0.258 0 CA-C-O 121.17 0.509 . . . . 0.0 110.387 -179.477 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.802 HD23 ' N ' ' A' ' 22' ' ' ASN . 2.6 tt -58.67 159.31 6.79 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.747 -0.66 . . . . 0.0 110.428 179.932 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . 0.802 ' N ' HD23 ' A' ' 21' ' ' LEU . 39.2 t-20 -40.9 138.16 1.09 Allowed 'General case' 0 N--CA 1.472 0.631 0 N-CA-C 112.3 0.481 . . . . 0.0 112.3 -179.613 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 3.3 ttt180 -55.21 -30.71 60.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.844 -0.616 . . . . 0.0 111.876 -179.338 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 43.3 m-20 -66.18 -33.91 76.84 Favored 'General case' 0 C--N 1.326 -0.431 0 C-N-CA 121.009 -0.277 . . . . 0.0 111.106 -179.523 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . 0.789 ' CB ' HD22 ' A' ' 21' ' ' LEU . 2.5 t80 -75.39 -45.12 41.07 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 109.518 -0.549 . . . . 0.0 109.518 179.289 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 45.7 mt -61.71 -42.53 94.69 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 115.562 -0.745 . . . . 0.0 110.029 178.989 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -73.59 -33.54 64.66 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.228 179.514 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.589 HD23 ' N ' ' A' ' 29' ' ' ILE . 0.7 OUTLIER -67.32 -46.73 72.62 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.782 -0.645 . . . . 0.0 110.075 179.572 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.589 ' N ' HD23 ' A' ' 28' ' ' LEU . 10.9 mt -68.9 -32.53 55.01 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.055 179.08 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -76.51 -33.18 58.62 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.326 179.338 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 13.2 m-20 -69.7 -28.5 65.89 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.895 -0.593 . . . . 0.0 111.122 179.991 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 20.0 tp10 -80.73 -46.74 15.01 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 109.424 -0.584 . . . . 0.0 109.424 179.236 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.694 HG23 ' HB3' ' A' ' 38' ' ' LEU . 46.8 mt -64.56 -32.59 58.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-N 115.355 -0.839 . . . . 0.0 109.71 178.699 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 16.9 mmtt -69.56 -45.25 69.14 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.237 179.436 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.85 -24.04 62.44 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.477 178.729 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 3.4 mtt-85 -83.78 7.1 18.91 Favored 'General case' 0 CA--C 1.534 0.355 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.961 179.888 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 10.3 t 58.78 34.6 23.84 Favored 'General case' 0 C--O 1.232 0.147 0 CA-C-O 120.961 0.41 . . . . 0.0 110.488 -179.639 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.771 ' O ' HG22 ' A' ' 41' ' ' ILE . 8.6 tp -122.88 15.47 10.06 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.753 -0.658 . . . . 0.0 111.514 -179.457 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -59.23 -24.57 59.0 Favored Glycine 0 C--N 1.339 0.726 0 C-N-CA 120.313 -0.946 . . . . 0.0 112.062 179.682 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 32.2 p-80 -62.58 -26.69 68.73 Favored 'General case' 0 C--N 1.327 -0.388 0 O-C-N 122.46 -0.435 . . . . 0.0 110.392 179.034 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.771 HG22 ' O ' ' A' ' 38' ' ' LEU . 5.6 tp . . . . . 0 CA--C 1.536 0.439 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.769 179.96 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.454 -0.251 0 CA-C-O 120.898 0.38 . . . . 0.0 110.349 . . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -79.35 -37.35 37.68 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.901 -0.59 . . . . 0.0 110.824 179.533 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.537 HD21 HG13 ' A' ' 33' ' ' ILE . 36.5 tp -75.15 -45.26 41.99 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.848 -0.615 . . . . 0.0 111.155 -179.88 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.679 HD13 HG12 ' A' ' 41' ' ' ILE . 72.4 mt -69.19 -34.35 62.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.678 -179.987 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -62.3 -28.81 69.99 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.146 178.645 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -72.9 -45.83 56.01 Favored 'General case' 0 C--N 1.331 -0.231 0 N-CA-C 109.8 -0.444 . . . . 0.0 109.8 179.45 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.737 ' O ' HG23 ' A' ' 17' ' ' THR . 63.0 t80 -65.73 -37.97 87.86 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.929 -0.578 . . . . 0.0 109.994 178.975 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . 0.452 ' CZ ' ' CG2' ' A' ' 10' ' ' ILE . 8.1 m-30 -72.6 -42.73 64.19 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.676 -0.693 . . . . 0.0 110.455 179.699 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 5.9 mmpt? -66.92 -47.73 70.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.341 179.175 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.4 ' HB1' ' HB3' ' A' ' 21' ' ' LEU . . . -59.48 -35.12 73.5 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.85 -0.614 . . . . 0.0 111.551 -179.855 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.737 HG23 ' O ' ' A' ' 13' ' ' TYR . 35.7 p -70.24 -32.45 70.31 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.904 0.383 . . . . 0.0 110.41 179.691 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -78.2 -44.59 25.31 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.959 -0.564 . . . . 0.0 111.581 -179.86 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . 0.875 ' CE ' HD12 ' A' ' 21' ' ' LEU . 3.9 ptt? -83.61 -16.02 46.8 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 112.185 0.439 . . . . 0.0 112.185 -179.396 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 9.9 m-80 75.16 36.05 0.55 Allowed 'General case' 0 N--CA 1.464 0.241 0 CA-C-O 121.154 0.502 . . . . 0.0 110.033 -178.986 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.875 HD12 ' CE ' ' A' ' 19' ' ' MET . 2.9 tt -55.36 160.03 2.46 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.533 -0.758 . . . . 0.0 110.622 -179.995 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . 0.801 ' N ' HD23 ' A' ' 21' ' ' LEU . 52.8 t30 -42.93 133.58 3.62 Favored 'General case' 0 N--CA 1.469 0.479 0 CA-C-O 120.948 0.404 . . . . 0.0 112.062 -179.788 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 13.4 tpp180 -55.08 -24.98 28.17 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.854 -179.375 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 17.2 m-20 -68.45 -35.98 78.36 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.709 0.29 . . . . 0.0 111.047 -179.72 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . 0.683 ' HB3' HD22 ' A' ' 21' ' ' LEU . 2.4 t80 -75.38 -41.78 55.51 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 109.464 -0.569 . . . . 0.0 109.464 179.18 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 57.1 mt -61.66 -44.56 98.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 115.62 -0.718 . . . . 0.0 109.846 178.775 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 5.3 tt0 -72.53 -33.4 66.84 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.21 179.37 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.566 HD23 ' N ' ' A' ' 29' ' ' ILE . 0.8 OUTLIER -67.13 -46.15 74.98 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.745 -0.662 . . . . 0.0 110.148 179.474 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.662 HD11 ' CD2' ' A' ' 25' ' ' PHE . 5.8 mt -69.16 -32.41 53.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-O 120.943 0.402 . . . . 0.0 110.143 179.144 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.413 ' HB2' ' CE1' ' A' ' 13' ' ' TYR . 3.3 tt0 -76.81 -32.68 57.78 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.378 179.2 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 4.7 m-20 -69.06 -30.95 69.39 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.862 179.967 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 15.5 tp10 -79.88 -45.23 19.01 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 109.415 -0.587 . . . . 0.0 109.415 179.157 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.631 HG23 ' HB3' ' A' ' 38' ' ' LEU . 71.0 mt -63.99 -35.16 72.58 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-N 115.381 -0.827 . . . . 0.0 109.445 178.565 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 20.6 mttt -66.35 -47.2 74.2 Favored 'General case' 0 N--CA 1.453 -0.311 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.052 179.607 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.02 -25.01 62.48 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.669 179.18 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -80.92 3.09 23.96 Favored 'General case' 0 CA--C 1.532 0.266 0 CA-C-N 116.344 -0.389 . . . . 0.0 112.001 179.896 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 9.0 t 61.6 33.55 18.19 Favored 'General case' 0 CA--C 1.523 -0.074 0 CA-C-O 121.062 0.458 . . . . 0.0 110.333 -179.619 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.802 ' O ' HG22 ' A' ' 41' ' ' ILE . 8.2 tp -123.15 18.95 9.95 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.722 -0.672 . . . . 0.0 111.084 -179.663 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -60.22 -29.54 68.85 Favored Glycine 0 C--N 1.336 0.528 0 C-N-CA 120.619 -0.8 . . . . 0.0 111.741 179.22 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 3.1 p-80 -57.84 -28.31 63.99 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.872 0.368 . . . . 0.0 110.521 179.193 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.802 HG22 ' O ' ' A' ' 38' ' ' LEU . 5.9 tp . . . . . 0 CA--C 1.534 0.36 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.334 179.645 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.456 -0.133 0 CA-C-O 120.809 0.337 . . . . 0.0 110.425 . . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -81.77 -33.69 30.78 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.599 179.472 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.526 HD21 HG13 ' A' ' 33' ' ' ILE . 11.6 tp -75.27 -45.31 40.78 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.736 -0.665 . . . . 0.0 110.62 179.77 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.793 HD11 ' CD2' ' A' ' 38' ' ' LEU . 54.7 mt -70.29 -34.06 56.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.339 179.881 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 16.5 mm-40 -62.64 -28.51 69.96 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.17 178.627 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 3.7 m -73.26 -46.84 47.64 Favored 'General case' 0 C--N 1.331 -0.198 0 N-CA-C 109.669 -0.493 . . . . 0.0 109.669 179.182 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.771 ' O ' HG23 ' A' ' 17' ' ' THR . 58.1 t80 -63.51 -38.3 90.59 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.815 -0.63 . . . . 0.0 109.831 178.899 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . 0.456 ' CE1' HG23 ' A' ' 10' ' ' ILE . 6.0 m-30 -73.06 -46.34 52.26 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.574 -0.739 . . . . 0.0 110.335 179.736 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 10.3 mmtt -64.91 -43.61 92.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.844 -0.617 . . . . 0.0 110.496 179.369 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.546 ' HB1' ' HB3' ' A' ' 21' ' ' LEU . . . -63.04 -37.0 85.45 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.805 -0.634 . . . . 0.0 111.595 -179.626 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.771 HG23 ' O ' ' A' ' 13' ' ' TYR . 39.5 p -67.78 -32.48 73.09 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.904 0.383 . . . . 0.0 110.359 179.707 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -75.07 -46.59 33.71 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.483 -179.874 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . 0.773 ' CE ' HD12 ' A' ' 21' ' ' LEU . 3.8 ptt? -82.4 -14.73 54.72 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.161 -0.472 . . . . 0.0 112.175 -179.461 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 4.3 m120 74.98 39.06 0.41 Allowed 'General case' 0 N--CA 1.463 0.184 0 CA-C-O 121.165 0.507 . . . . 0.0 110.002 -178.885 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.821 HD23 ' N ' ' A' ' 22' ' ' ASN . 3.2 tt -56.61 158.0 4.85 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.513 -0.767 . . . . 0.0 110.608 -179.855 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . 0.821 ' N ' HD23 ' A' ' 21' ' ' LEU . 19.1 t-20 -42.88 133.5 3.61 Favored 'General case' 0 N--CA 1.469 0.523 0 CA-C-O 120.939 0.4 . . . . 0.0 112.038 -179.837 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -54.64 -27.77 42.12 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.949 -0.569 . . . . 0.0 111.798 -179.419 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 1.2 t0 -66.24 -37.97 86.77 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 120.702 0.286 . . . . 0.0 111.005 -179.602 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . 0.769 ' HB3' HD22 ' A' ' 21' ' ' LEU . 2.6 t80 -74.83 -40.6 60.96 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 109.317 -0.623 . . . . 0.0 109.317 179.161 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 58.4 mt -62.58 -46.03 97.37 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-N 115.549 -0.751 . . . . 0.0 109.808 178.82 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 4.6 tt0 -70.83 -32.75 69.9 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.23 179.425 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.578 HD23 ' N ' ' A' ' 29' ' ' ILE . 0.7 OUTLIER -67.69 -46.68 71.6 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.059 179.524 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.666 HD11 ' CD2' ' A' ' 25' ' ' PHE . 6.0 mt -69.44 -32.29 52.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.012 179.161 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.407 ' HB2' ' CE1' ' A' ' 13' ' ' TYR . 5.8 tt0 -76.51 -32.82 58.51 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.186 179.189 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 7.9 m-20 -69.06 -29.26 67.35 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.912 179.684 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 3.9 tp10 -80.26 -44.56 19.44 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 109.573 -0.528 . . . . 0.0 109.573 179.152 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.668 HG23 ' HB3' ' A' ' 38' ' ' LEU . 49.0 mt -64.4 -33.56 63.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-N 115.371 -0.832 . . . . 0.0 109.575 178.768 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 10.7 mttt -69.26 -47.54 64.35 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.177 179.475 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -71.0 -24.92 62.47 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.671 179.102 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 55.3 mtt180 -81.02 3.76 21.98 Favored 'General case' 0 CA--C 1.533 0.318 0 CA-C-N 116.25 -0.432 . . . . 0.0 112.044 179.961 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 3.3 t 61.48 33.81 18.36 Favored 'General case' 0 C--O 1.232 0.146 0 CA-C-O 121.11 0.481 . . . . 0.0 110.31 -179.585 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.808 ' O ' HG22 ' A' ' 41' ' ' ILE . 8.8 tp -121.98 23.98 9.76 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.789 -179.568 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -64.61 -22.06 67.59 Favored Glycine 0 C--N 1.335 0.514 0 C-N-CA 120.89 -0.672 . . . . 0.0 112.405 179.585 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 18.3 p-80 -67.45 -30.32 70.02 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.887 0.375 . . . . 0.0 110.228 179.497 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.808 HG22 ' O ' ' A' ' 38' ' ' LEU . 6.0 tp . . . . . 0 CA--C 1.534 0.363 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.302 179.76 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 . . . . . 0 N--CA 1.455 -0.212 0 CA-C-O 121.008 0.433 . . . . 0.0 110.18 . . . . . . . . . 0 0 . 1 . 024 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -81.71 -33.6 31.06 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.398 179.199 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.533 HD21 HG13 ' A' ' 33' ' ' ILE . 18.1 tp -75.06 -47.02 30.94 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.694 -0.685 . . . . 0.0 110.567 179.712 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.753 HD13 HG12 ' A' ' 41' ' ' ILE . 60.9 mt -68.55 -35.67 71.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.572 -179.935 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 33.1 mt-10 -62.3 -28.58 69.83 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.182 178.625 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . 0.589 ' HB3' HD13 ' A' ' 29' ' ' ILE . 0.4 OUTLIER -72.39 -46.43 55.27 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.216 -0.447 . . . . 0.0 109.801 179.391 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.843 ' O ' HG23 ' A' ' 17' ' ' THR . 76.2 t80 -63.2 -38.67 92.08 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.808 -0.633 . . . . 0.0 109.758 178.86 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . 0.453 ' CZ ' ' CG2' ' A' ' 10' ' ' ILE . 6.8 m-30 -72.21 -47.71 48.51 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.493 -0.776 . . . . 0.0 110.448 179.723 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 27.7 mtmt -64.23 -42.97 96.31 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.403 179.287 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -60.49 -37.03 79.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.893 -0.594 . . . . 0.0 111.613 -179.753 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.843 HG23 ' O ' ' A' ' 13' ' ' TYR . 82.1 p -69.35 -32.48 71.58 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.956 0.408 . . . . 0.0 110.268 179.508 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -76.31 -46.09 29.34 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.501 -179.956 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . 0.807 ' CE ' HD12 ' A' ' 21' ' ' LEU . 3.7 ptt? -83.58 -13.94 53.22 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.177 -0.465 . . . . 0.0 112.211 -179.405 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 3.1 m120 72.63 39.13 0.72 Allowed 'General case' 0 C--N 1.332 -0.164 0 CA-C-O 121.133 0.492 . . . . 0.0 110.14 -178.945 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.813 HD23 ' N ' ' A' ' 22' ' ' ASN . 3.1 tt -57.64 157.94 6.59 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.565 -0.743 . . . . 0.0 110.487 -179.919 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . 0.813 ' N ' HD23 ' A' ' 21' ' ' LEU . 10.4 t-20 -42.44 137.26 2.13 Favored 'General case' 0 N--CA 1.47 0.571 0 N-CA-C 112.197 0.443 . . . . 0.0 112.197 -179.791 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 1.5 ttm180 -57.01 -29.79 63.63 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.641 -179.424 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -64.94 -35.59 81.67 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.815 0.34 . . . . 0.0 110.86 -179.777 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . 0.773 ' HB3' HD22 ' A' ' 21' ' ' LEU . 2.9 t80 -75.25 -43.99 48.41 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 109.301 -0.629 . . . . 0.0 109.301 179.137 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 60.6 mt -60.99 -43.23 95.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 115.545 -0.752 . . . . 0.0 110.088 178.863 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -74.11 -33.49 63.6 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.198 179.454 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.573 HD23 ' N ' ' A' ' 29' ' ' ILE . 0.8 OUTLIER -66.83 -46.44 75.13 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.804 -0.634 . . . . 0.0 110.013 179.47 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.602 HD11 ' CD2' ' A' ' 25' ' ' PHE . 14.5 mt -69.24 -32.31 53.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.029 179.201 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -76.55 -32.73 58.37 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.26 179.194 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 52.4 m-20 -69.74 -29.65 67.06 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.912 179.761 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 16.4 tp10 -80.21 -46.15 16.81 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 109.378 -0.601 . . . . 0.0 109.378 179.229 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.595 HG23 ' HB3' ' A' ' 38' ' ' LEU . 67.0 mt -63.98 -33.54 62.84 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-N 115.423 -0.808 . . . . 0.0 109.559 178.587 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 8.5 mttt -68.99 -47.8 64.66 Favored 'General case' 0 N--CA 1.454 -0.247 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.212 179.397 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -70.93 -24.48 62.46 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.555 179.104 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 1.1 mmp_? -80.88 3.18 23.54 Favored 'General case' 0 CA--C 1.534 0.36 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.843 179.815 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 37.9 t 61.1 33.6 19.41 Favored 'General case' 0 C--O 1.23 0.04 0 CA-C-O 121.088 0.47 . . . . 0.0 110.249 -179.431 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.784 ' O ' HG22 ' A' ' 41' ' ' ILE . 10.1 tp -123.19 15.98 9.86 Favored 'General case' 0 CA--C 1.532 0.288 0 CA-C-N 115.706 -0.679 . . . . 0.0 111.381 -179.386 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -58.2 -26.14 58.32 Favored Glycine 0 C--N 1.336 0.554 0 C-N-CA 120.579 -0.819 . . . . 0.0 112.097 179.539 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 40' ' ' HIS . . . . . 0.41 ' NE2' HD12 ' A' ' 38' ' ' LEU . 3.4 p-80 -61.06 -30.62 70.44 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.921 0.391 . . . . 0.0 110.168 179.219 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.784 HG22 ' O ' ' A' ' 38' ' ' LEU . 6.0 tp . . . . . 0 CA--C 1.533 0.314 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.214 179.512 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 . . . . . 0 N--CA 1.455 -0.208 0 CA-C-O 120.869 0.366 . . . . 0.0 110.318 . . . . . . . . . 0 0 . 1 . 025 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -81.81 -35.54 29.38 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.743 179.428 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.474 HD12 HG23 ' A' ' 29' ' ' ILE . 51.7 tp -75.17 -43.81 50.21 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.875 179.902 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.828 HD11 HD21 ' A' ' 38' ' ' LEU . 63.4 mt -69.38 -40.23 79.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-N 116.433 -0.349 . . . . 0.0 110.762 -179.805 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -60.8 -28.24 68.62 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 109.869 -0.419 . . . . 0.0 109.869 178.387 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . 0.41 ' C ' HD13 ' A' ' 29' ' ' ILE . 69.6 m -70.59 -44.21 67.8 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-O 121.069 0.461 . . . . 0.0 109.972 179.407 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.4 ' N ' HG21 ' A' ' 29' ' ' ILE . 67.5 t80 -67.5 -39.64 85.19 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.017 179.232 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . 0.457 ' CZ ' ' CG2' ' A' ' 10' ' ' ILE . 7.7 m-30 -72.5 -39.69 67.43 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.408 -0.814 . . . . 0.0 110.73 179.963 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.432 ' HD2' ' N ' ' A' ' 15' ' ' LYS . 0.0 OUTLIER -65.43 -53.31 44.74 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.155 -0.475 . . . . 0.0 109.915 179.591 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.453 ' HB1' ' HB3' ' A' ' 21' ' ' LEU . . . -57.3 -34.24 68.51 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.625 -0.716 . . . . 0.0 111.817 -179.702 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 6.1 p -69.29 -32.62 71.89 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.887 0.375 . . . . 0.0 110.306 179.645 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 6.4 mt-10 -78.57 -46.56 19.12 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.292 179.848 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . 0.855 ' CE ' HD12 ' A' ' 21' ' ' LEU . 3.0 ptt? -82.8 -9.15 59.47 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 112.379 0.511 . . . . 0.0 112.379 -179.64 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 36.0 m-20 66.5 40.85 3.36 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.065 0.459 . . . . 0.0 110.651 -178.999 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.855 HD12 ' CE ' ' A' ' 19' ' ' MET . 2.9 tt -59.36 159.7 7.62 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.2 179.629 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . 0.803 ' N ' HD23 ' A' ' 21' ' ' LEU . 6.1 t-20 -40.93 132.58 2.3 Favored 'General case' 0 N--CA 1.472 0.635 0 N-CA-C 112.298 0.481 . . . . 0.0 112.298 -179.743 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 5.6 tmm_? -53.99 -25.42 20.85 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.985 -0.552 . . . . 0.0 112.023 -179.344 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -69.47 -35.42 75.59 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.765 0.317 . . . . 0.0 110.913 -179.753 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . 0.687 ' CD2' HD11 ' A' ' 29' ' ' ILE . 4.2 t80 -74.0 -45.65 48.55 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 109.363 -0.606 . . . . 0.0 109.363 179.233 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 62.5 mt -59.07 -43.81 90.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 115.551 -0.75 . . . . 0.0 110.241 178.939 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 4.1 tt0 -72.85 -34.82 67.01 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.063 0.459 . . . . 0.0 110.295 179.615 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.633 HD23 ' N ' ' A' ' 29' ' ' ILE . 0.5 OUTLIER -65.13 -47.76 75.98 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.009 179.339 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.687 HD11 ' CD2' ' A' ' 25' ' ' PHE . 10.5 mt -67.11 -32.77 59.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.207 179.337 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -76.33 -31.92 58.41 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.294 179.445 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 3.9 m-20 -69.58 -28.96 66.42 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.037 179.815 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 16.0 tp10 -80.4 -44.63 19.03 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.212 0.529 . . . . 0.0 109.644 179.335 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.714 HG23 ' HB3' ' A' ' 38' ' ' LEU . 42.6 mt -64.51 -32.92 59.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-N 115.354 -0.839 . . . . 0.0 109.882 178.925 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 4.4 mtmt -68.91 -46.19 68.94 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.045 179.272 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 17.8 mtt180 -69.59 -25.18 63.84 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.57 179.066 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 9.7 mtt180 -82.93 6.47 18.49 Favored 'General case' 0 CA--C 1.534 0.331 0 CA-C-N 116.209 -0.45 . . . . 0.0 112.209 -179.906 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 5.3 t 60.14 32.89 21.09 Favored 'General case' 0 C--O 1.232 0.141 0 CA-C-O 120.968 0.414 . . . . 0.0 110.456 -179.74 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.828 HD21 HD11 ' A' ' 10' ' ' ILE . 8.3 tp -121.11 28.04 8.08 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.618 -179.615 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -72.06 -6.29 64.02 Favored Glycine 0 C--N 1.335 0.49 0 C-N-CA 121.043 -0.599 . . . . 0.0 112.877 179.52 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 9.4 p-80 -85.04 -32.31 22.97 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 117.304 0.552 . . . . 0.0 109.609 178.899 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.702 HG22 ' O ' ' A' ' 38' ' ' LEU . 6.1 tp . . . . . 0 CA--C 1.532 0.279 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.046 179.106 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.488 1.426 0 CA-C-O 120.869 0.366 . . . . 0.0 111.17 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 27.0 mtp180 -81.89 -50.96 8.58 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.848 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 14.0 mttm -127.04 124.08 38.48 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.863 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.588 HD13 ' HB2' ' A' ' 9' ' ' LEU . 0.2 OUTLIER -173.64 147.37 1.4 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.888 -179.968 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.706 ' OG ' HD13 ' A' ' 8' ' ' LEU . 2.2 p -64.48 150.19 47.08 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.675 179.753 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . 0.524 ' O ' HD12 ' A' ' 10' ' ' ILE . 0.3 OUTLIER -61.82 -31.03 71.24 Favored 'General case' 0 C--N 1.331 -0.224 0 N-CA-C 109.792 -0.447 . . . . 0.0 109.792 179.401 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -64.99 -40.05 94.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.472 179.594 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.706 HD13 ' OG ' ' A' ' 5' ' ' SER . 4.7 mp -81.0 -40.17 24.71 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.543 179.215 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.588 ' HB2' HD13 ' A' ' 4' ' ' LEU . 23.7 tp -62.78 -42.75 99.84 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.224 0.535 . . . . 0.0 109.68 179.005 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.866 HD11 HD21 ' A' ' 38' ' ' LEU . 32.0 mt -74.51 -34.16 34.82 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.554 0 CA-C-N 115.605 -0.725 . . . . 0.0 109.797 178.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.406 ' HB2' ' HA ' ' A' ' 8' ' ' LEU . 8.6 mm-40 -62.5 -28.8 70.09 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.865 -0.607 . . . . 0.0 109.831 178.327 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 1.3 t -73.16 -46.53 50.35 Favored 'General case' 0 N--CA 1.455 -0.219 0 N-CA-C 109.435 -0.58 . . . . 0.0 109.435 179.003 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.876 ' O ' HG23 ' A' ' 17' ' ' THR . 74.6 t80 -63.65 -40.11 96.04 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.778 -0.646 . . . . 0.0 109.929 178.778 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.459 ' CZ ' ' CG2' ' A' ' 10' ' ' ILE . 5.6 m-30 -70.58 -47.6 59.4 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.543 -0.753 . . . . 0.0 110.438 179.783 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 36.0 mtmt -61.37 -44.58 96.93 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.586 179.499 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.579 ' HB1' ' HB3' ' A' ' 21' ' ' LEU . . . -60.25 -37.27 79.86 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.85 -0.614 . . . . 0.0 111.771 -179.483 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.876 HG23 ' O ' ' A' ' 13' ' ' TYR . 68.2 p -68.24 -32.48 72.69 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.886 0.374 . . . . 0.0 110.546 179.865 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -75.5 -44.26 44.73 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.45 -179.908 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . 0.759 ' CE ' HD12 ' A' ' 21' ' ' LEU . 3.5 ptt? -84.39 -14.68 48.74 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 112.177 0.436 . . . . 0.0 112.177 -179.491 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 10.3 m-80 75.95 38.15 0.36 Allowed 'General case' 0 N--CA 1.465 0.3 0 CA-C-O 121.098 0.475 . . . . 0.0 110.142 -179.019 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.826 HD23 ' N ' ' A' ' 22' ' ' ASN . 3.3 tt -57.6 156.13 8.76 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.615 -0.72 . . . . 0.0 110.516 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . 0.826 ' N ' HD23 ' A' ' 21' ' ' LEU . 9.8 t-20 -42.8 138.69 1.88 Allowed 'General case' 0 N--CA 1.47 0.529 0 N-CA-C 112.221 0.452 . . . . 0.0 112.221 -179.619 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 7.5 ttm180 -58.15 -28.92 65.15 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.88 -0.6 . . . . 0.0 111.609 -179.502 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -64.49 -38.85 92.45 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.567 -0.288 . . . . 0.0 111.055 -179.709 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . 0.803 ' CD2' HD11 ' A' ' 29' ' ' ILE . 3.7 t80 -73.83 -42.5 60.79 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 109.395 -0.595 . . . . 0.0 109.395 179.088 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 69.4 mt -60.41 -43.41 93.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 115.427 -0.806 . . . . 0.0 110.01 178.823 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -75.02 -34.7 61.93 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.258 179.536 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.581 HD23 ' N ' ' A' ' 29' ' ' ILE . 0.9 OUTLIER -65.33 -47.59 75.98 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.827 -0.624 . . . . 0.0 109.997 179.483 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.803 HD11 ' CD2' ' A' ' 25' ' ' PHE . 9.8 mt -67.85 -31.98 54.5 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.085 179.376 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.418 ' HB2' ' CE1' ' A' ' 13' ' ' TYR . 1.4 tm-20 -76.71 -33.23 58.2 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.311 179.196 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -67.59 -30.05 69.56 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.976 -0.556 . . . . 0.0 111.056 179.825 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 2.5 tp10 -80.26 -45.32 18.14 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 109.459 -0.571 . . . . 0.0 109.459 179.167 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.713 HG23 ' HB3' ' A' ' 38' ' ' LEU . 51.1 mt -64.58 -31.93 55.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-N 115.319 -0.855 . . . . 0.0 109.692 178.565 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 7.1 mmtt -70.34 -47.95 58.66 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.254 179.464 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 3.1 ttm-85 -69.54 -23.09 63.54 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.608 178.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 16.5 mtp180 -83.45 6.37 20.47 Favored 'General case' 0 CA--C 1.535 0.366 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.979 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 5.0 t 61.02 34.06 19.45 Favored 'General case' 0 C--O 1.229 0.026 0 CA-C-O 121.076 0.465 . . . . 0.0 110.478 -179.721 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.866 HD21 HD11 ' A' ' 10' ' ' ILE . 8.1 tp -123.02 26.04 8.28 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.667 -0.697 . . . . 0.0 110.755 -179.579 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -71.03 -7.67 62.98 Favored Glycine 0 C--N 1.336 0.539 0 C-N-CA 120.94 -0.648 . . . . 0.0 112.835 179.687 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -82.79 -31.47 28.21 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 117.256 0.528 . . . . 0.0 109.641 178.784 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.747 HG12 HD13 ' A' ' 10' ' ' ILE . 6.5 tp -61.2 -33.97 58.55 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.279 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.039 179.05 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.799 HD12 HG21 ' A' ' 44' ' ' VAL . 13.9 pt -81.48 165.88 2.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 115.216 -0.902 . . . . 0.0 110.688 179.775 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 15.5 t -82.71 58.68 4.37 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.21 0.529 . . . . 0.0 110.067 179.331 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.799 HG21 HD12 ' A' ' 42' ' ' ILE . 33.2 t -123.02 160.57 25.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 115.632 -0.713 . . . . 0.0 111.149 -179.096 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . 0.469 ' N ' HG12 ' A' ' 44' ' ' VAL . 31.0 t -107.77 89.45 3.0 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.959 0.409 . . . . 0.0 110.544 179.412 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.248 1.024 0 CA-C-O 118.219 -0.896 . . . . 0.0 110.888 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.602 ' HE3' HD21 ' A' ' 28' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.361 0 CA-C-O 120.905 0.383 . . . . 0.0 111.147 . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 6.1 mtt180 -82.43 -51.13 8.13 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.932 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -176.1 135.71 0.28 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.832 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.67 HD13 ' HB2' ' A' ' 9' ' ' LEU . 0.2 OUTLIER -176.99 148.27 0.63 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.929 -179.822 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 44.9 t -69.97 163.77 25.35 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.668 179.785 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . 0.467 ' O ' HD12 ' A' ' 10' ' ' ILE . 0.4 OUTLIER -58.3 -24.37 59.37 Favored 'General case' 0 N--CA 1.465 0.31 0 CA-C-N 116.468 -0.333 . . . . 0.0 110.234 179.363 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -73.4 -37.4 65.97 Favored 'General case' 0 N--CA 1.454 -0.228 0 CA-C-O 120.935 0.398 . . . . 0.0 110.021 179.387 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -80.72 -33.61 35.11 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.434 179.141 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.67 ' HB2' HD13 ' A' ' 4' ' ' LEU . 18.2 tp -74.04 -47.07 39.3 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.532 179.658 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.78 HD11 HD21 ' A' ' 38' ' ' LEU . 51.7 mt -68.38 -35.07 69.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.521 179.901 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 15.5 mt-10 -62.04 -28.41 69.57 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.118 178.658 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . 0.435 ' HB3' HD13 ' A' ' 29' ' ' ILE . 1.1 t -73.19 -45.28 57.25 Favored 'General case' 0 CA--C 1.52 -0.183 0 N-CA-C 109.708 -0.478 . . . . 0.0 109.708 179.285 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.681 ' O ' HG23 ' A' ' 17' ' ' THR . 71.4 t80 -64.67 -38.0 89.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.842 -0.617 . . . . 0.0 109.807 178.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.457 ' CZ ' ' CG2' ' A' ' 10' ' ' ILE . 13.2 m-30 -73.54 -45.57 52.78 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.519 -0.764 . . . . 0.0 110.516 179.693 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 6.6 mmtt -65.29 -44.98 86.24 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.583 179.48 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.586 ' HB1' ' HB3' ' A' ' 21' ' ' LEU . . . -64.32 -35.98 82.62 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.667 -179.653 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.681 HG23 ' O ' ' A' ' 13' ' ' TYR . 20.4 p -67.34 -32.59 73.64 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.991 0.424 . . . . 0.0 110.51 179.72 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -75.82 -47.12 26.99 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.486 -179.742 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . 0.778 ' CE ' HD12 ' A' ' 21' ' ' LEU . 3.6 ptt? -81.4 -14.04 57.61 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.195 -0.457 . . . . 0.0 112.175 -179.555 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 22.2 m-20 74.67 38.15 0.5 Allowed 'General case' 0 N--CA 1.463 0.191 0 CA-C-O 121.14 0.495 . . . . 0.0 110.012 -179.076 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.824 HD23 ' N ' ' A' ' 22' ' ' ASN . 3.2 tt -55.85 157.91 4.04 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.591 -0.731 . . . . 0.0 110.523 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . 0.824 ' N ' HD23 ' A' ' 21' ' ' LEU . 47.7 t30 -41.66 133.81 2.6 Favored 'General case' 0 N--CA 1.471 0.622 0 N-CA-C 112.141 0.423 . . . . 0.0 112.141 -179.774 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -54.56 -29.03 49.88 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.86 -179.326 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -66.15 -36.16 82.38 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.765 0.317 . . . . 0.0 110.917 -179.796 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . 0.769 ' HB3' HD22 ' A' ' 21' ' ' LEU . 2.6 t80 -74.63 -42.56 58.36 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 109.206 -0.665 . . . . 0.0 109.206 179.065 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 56.0 mt -61.93 -47.52 92.84 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 115.454 -0.794 . . . . 0.0 109.993 178.825 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -69.81 -32.21 70.53 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.359 179.651 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.602 HD21 ' HE3' ' A' ' 1' ' ' MET . 0.8 OUTLIER -67.84 -47.2 69.64 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.007 179.5 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.59 ' N ' HD23 ' A' ' 28' ' ' LEU . 12.5 mt -68.95 -32.45 54.59 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.02 179.161 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 6.9 tt0 -76.61 -32.72 58.24 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.193 179.266 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 5.1 m-20 -69.4 -28.89 66.55 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.997 179.899 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 8.6 tp10 -80.6 -45.1 17.87 Favored 'General case' 0 C--N 1.33 -0.273 0 N-CA-C 109.574 -0.528 . . . . 0.0 109.574 179.21 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.721 HG23 ' HB3' ' A' ' 38' ' ' LEU . 45.5 mt -64.55 -32.21 56.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-N 115.337 -0.847 . . . . 0.0 109.759 178.721 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 36.6 mttt -69.62 -47.1 64.62 Favored 'General case' 0 N--CA 1.456 -0.172 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.075 179.385 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 3.3 tpp180 -70.85 -24.29 62.49 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.954 -0.567 . . . . 0.0 110.768 179.166 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 5.3 mtp180 -81.96 4.76 21.44 Favored 'General case' 0 CA--C 1.534 0.349 0 CA-C-N 116.287 -0.415 . . . . 0.0 112.038 179.899 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 2.8 t 61.32 34.48 18.48 Favored 'General case' 0 C--O 1.23 0.065 0 CA-C-O 121.14 0.495 . . . . 0.0 110.328 -179.663 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.78 HD21 HD11 ' A' ' 10' ' ' ILE . 8.6 tp -123.08 27.06 7.79 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.538 -0.756 . . . . 0.0 110.547 -179.549 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -70.83 -7.33 61.63 Favored Glycine 0 C--N 1.336 0.533 0 C-N-CA 121.0 -0.619 . . . . 0.0 113.067 179.803 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 8.8 p-80 -83.88 -32.24 25.28 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 117.348 0.574 . . . . 0.0 109.497 178.8 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.746 HG22 ' O ' ' A' ' 38' ' ' LEU . 6.2 tp -59.66 -32.86 50.25 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.325 0 CA-C-N 115.804 -0.635 . . . . 0.0 109.829 178.798 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.863 HD12 HG21 ' A' ' 44' ' ' VAL . 15.9 pt -84.76 158.76 3.47 Favored 'Isoleucine or valine' 0 C--O 1.232 0.172 0 CA-C-N 115.036 -0.984 . . . . 0.0 110.799 179.733 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 13.2 t -79.81 61.58 3.79 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.153 0.502 . . . . 0.0 110.128 179.472 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.863 HG21 HD12 ' A' ' 42' ' ' ILE . 24.7 t -122.86 160.13 25.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 115.791 -0.641 . . . . 0.0 111.324 -179.182 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . 0.474 ' N ' HG12 ' A' ' 44' ' ' VAL . 94.0 p -116.12 89.75 3.18 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.489 179.559 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.6 t . . . . . 0 C--O 1.25 1.084 0 CA-C-O 118.192 -0.909 . . . . 0.0 110.949 -179.99 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.486 1.35 0 CA-C-O 120.824 0.345 . . . . 0.0 111.203 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 16.0 mmt180 -67.49 -51.01 56.31 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.914 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . 0.688 ' O ' HD23 ' A' ' 4' ' ' LEU . 30.7 tptt -166.49 110.01 0.75 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.805 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.688 HD23 ' O ' ' A' ' 3' ' ' LYS . 7.7 mt -134.8 150.01 50.46 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.033 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -60.62 153.23 24.3 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.595 179.604 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . 0.587 ' O ' HD12 ' A' ' 10' ' ' ILE . 0.6 OUTLIER -60.29 -30.27 69.37 Favored 'General case' 0 N--CA 1.465 0.278 0 N-CA-C 109.795 -0.446 . . . . 0.0 109.795 179.421 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -65.72 -41.84 91.8 Favored 'General case' 0 N--CA 1.453 -0.321 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.257 179.54 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 5.4 mp -80.39 -37.5 32.15 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.233 179.078 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 14.0 tp -63.43 -44.52 94.33 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.958 -0.565 . . . . 0.0 109.574 178.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.856 HD11 ' CD2' ' A' ' 38' ' ' LEU . 23.5 mt -72.49 -34.88 49.69 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.525 0 CA-C-N 115.621 -0.718 . . . . 0.0 109.858 179.162 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -61.38 -28.36 69.18 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.084 -0.507 . . . . 0.0 109.822 178.206 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 5.9 m -73.21 -47.07 46.61 Favored 'General case' 0 N--CA 1.455 -0.185 0 N-CA-C 109.463 -0.569 . . . . 0.0 109.463 179.122 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.636 ' O ' HG23 ' A' ' 17' ' ' THR . 75.3 t80 -62.87 -38.73 92.04 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.792 -0.64 . . . . 0.0 109.948 178.847 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.456 ' CZ ' ' CG2' ' A' ' 10' ' ' ILE . 6.2 m-30 -72.39 -46.18 56.38 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.596 -0.729 . . . . 0.0 110.282 179.702 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.59 -42.47 95.56 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.881 -0.599 . . . . 0.0 110.589 179.305 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.593 ' HB1' ' HB3' ' A' ' 21' ' ' LEU . . . -65.76 -38.28 88.64 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.013 -0.539 . . . . 0.0 111.548 -179.662 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.636 HG23 ' O ' ' A' ' 13' ' ' TYR . 20.8 p -65.0 -32.63 74.45 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.876 0.369 . . . . 0.0 110.501 179.81 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 5.6 mt-10 -75.04 -48.06 25.87 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.631 -179.734 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . 0.693 ' CE ' HD12 ' A' ' 21' ' ' LEU . 4.5 ptp -80.43 -14.43 58.3 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 112.38 0.511 . . . . 0.0 112.38 -179.266 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 4.9 m120 75.69 38.26 0.38 Allowed 'General case' 0 N--CA 1.465 0.28 0 CA-C-O 121.197 0.523 . . . . 0.0 109.978 -178.913 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.815 HD22 ' HB3' ' A' ' 25' ' ' PHE . 2.8 tt -55.05 158.77 2.71 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 115.479 -0.782 . . . . 0.0 110.66 -179.922 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . 0.806 ' N ' HD23 ' A' ' 21' ' ' LEU . 9.7 t-20 -41.79 133.67 2.74 Favored 'General case' 0 N--CA 1.47 0.572 0 N-CA-C 112.208 0.447 . . . . 0.0 112.208 -179.739 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 2.5 tpt180 -54.75 -31.36 58.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.916 -179.293 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -67.17 -33.52 75.57 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.747 0.308 . . . . 0.0 111.07 -179.639 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . 0.874 ' CD2' HD11 ' A' ' 29' ' ' ILE . 7.5 t80 -75.99 -43.67 43.36 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 109.313 -0.625 . . . . 0.0 109.313 179.148 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 61.6 mt -61.09 -44.98 99.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 115.453 -0.794 . . . . 0.0 110.104 178.875 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 2.7 tp10 -72.17 -32.98 67.35 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.303 179.497 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.611 HD23 ' N ' ' A' ' 29' ' ' ILE . 0.6 OUTLIER -66.37 -47.77 72.31 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.053 179.44 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.874 HD11 ' CD2' ' A' ' 25' ' ' PHE . 9.9 mt -67.76 -32.21 55.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.097 179.179 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.409 ' HB2' ' CE1' ' A' ' 13' ' ' TYR . 3.5 tt0 -76.4 -33.55 58.85 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.253 179.341 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 48.0 m-20 -67.92 -29.24 68.27 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.891 -0.595 . . . . 0.0 111.105 179.818 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 1.7 tp10 -80.58 -44.82 18.35 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 109.561 -0.533 . . . . 0.0 109.561 179.29 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.713 HG23 ' HB3' ' A' ' 38' ' ' LEU . 46.4 mt -65.16 -32.0 56.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-N 115.366 -0.834 . . . . 0.0 109.823 178.76 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 22.6 mttt -71.25 -46.24 61.45 Favored 'General case' 0 N--CA 1.455 -0.186 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.065 179.307 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 13.1 mtt85 -70.83 -23.84 62.42 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.925 -0.579 . . . . 0.0 110.47 178.877 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 43.1 mtt180 -83.48 6.29 20.85 Favored 'General case' 0 CA--C 1.534 0.346 0 CA-C-N 116.363 -0.38 . . . . 0.0 112.005 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 6.3 t 60.66 34.53 20.06 Favored 'General case' 0 C--O 1.231 0.121 0 CA-C-O 121.08 0.467 . . . . 0.0 110.483 -179.734 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.856 ' CD2' HD11 ' A' ' 10' ' ' ILE . 8.3 tp -123.04 27.19 7.75 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.647 -0.706 . . . . 0.0 110.737 -179.515 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -70.88 -7.66 62.45 Favored Glycine 0 C--N 1.334 0.462 0 C-N-CA 121.073 -0.584 . . . . 0.0 112.988 179.695 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 22.5 p-80 -83.18 -31.48 27.1 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 117.371 0.585 . . . . 0.0 109.518 178.779 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.745 HG22 ' O ' ' A' ' 38' ' ' LEU . 6.3 tp -61.04 -33.55 56.36 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.268 0 CA-C-N 115.791 -0.64 . . . . 0.0 109.981 179.037 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.865 HD12 HG21 ' A' ' 44' ' ' VAL . 13.8 pt -82.36 155.27 3.97 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.186 0 CA-C-N 115.225 -0.898 . . . . 0.0 110.855 179.748 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 7.7 t -77.29 63.4 2.5 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.172 0.511 . . . . 0.0 110.153 179.409 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.865 HG21 HD12 ' A' ' 42' ' ' ILE . 26.1 t -122.76 151.42 26.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 115.737 -0.665 . . . . 0.0 111.259 -179.119 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 2.7 p -116.23 89.52 3.13 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.677 179.478 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 6.0 t . . . . . 0 C--O 1.25 1.123 0 CA-C-O 118.231 -0.89 . . . . 0.0 110.895 179.94 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.471 ' SD ' HD21 ' A' ' 28' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.363 0 CA-C-O 120.892 0.377 . . . . 0.0 111.139 . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 36.6 mtm180 -83.08 -51.15 7.79 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.012 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 28.1 pttt -167.92 130.3 1.53 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.908 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.65 HD13 ' HB2' ' A' ' 9' ' ' LEU . 0.2 OUTLIER -177.74 147.31 0.48 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.06 -179.85 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.5 m -67.75 163.13 22.33 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.482 179.695 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . 0.516 ' O ' HD12 ' A' ' 10' ' ' ILE . 0.6 OUTLIER -59.35 -25.84 64.55 Favored 'General case' 0 N--CA 1.465 0.32 0 CA-C-O 120.818 0.342 . . . . 0.0 110.1 179.336 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -71.87 -37.32 70.22 Favored 'General case' 0 N--CA 1.455 -0.221 0 CA-C-O 121.044 0.45 . . . . 0.0 110.063 179.265 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -79.77 -33.86 40.27 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.543 -0.753 . . . . 0.0 110.423 179.25 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.65 ' HB2' HD13 ' A' ' 4' ' ' LEU . 15.8 tp -74.38 -47.2 35.54 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.702 -0.681 . . . . 0.0 110.573 179.737 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.782 HD13 HG12 ' A' ' 41' ' ' ILE . 33.5 mt -68.59 -33.88 62.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.499 179.798 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 12.1 mm-40 -62.25 -28.77 69.94 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.152 178.632 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -73.67 -45.65 51.21 Favored 'General case' 0 C--N 1.331 -0.201 0 N-CA-C 109.66 -0.496 . . . . 0.0 109.66 179.289 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.761 ' O ' HG23 ' A' ' 17' ' ' THR . 54.0 t80 -63.93 -36.53 84.26 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.809 -0.632 . . . . 0.0 109.711 178.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.459 ' CZ ' ' CG2' ' A' ' 10' ' ' ILE . 5.7 m-30 -74.57 -48.05 29.03 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.448 -0.796 . . . . 0.0 110.308 179.807 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 43.2 mtmt -64.06 -44.03 93.68 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.46 179.448 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.544 ' HB1' ' HB3' ' A' ' 21' ' ' LEU . . . -62.31 -37.73 86.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.875 -0.602 . . . . 0.0 111.601 -179.625 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.761 HG23 ' O ' ' A' ' 13' ' ' TYR . 35.1 p -66.6 -32.4 73.7 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.935 0.398 . . . . 0.0 110.298 179.587 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 10.3 mt-10 -74.75 -49.02 22.49 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 115.957 -0.565 . . . . 0.0 111.564 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . 0.765 ' CE ' HD12 ' A' ' 21' ' ' LEU . 3.5 ptt? -80.25 -14.71 58.19 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 112.368 0.507 . . . . 0.0 112.368 -179.431 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 11.7 m120 75.08 39.73 0.38 Allowed 'General case' 0 N--CA 1.464 0.268 0 CA-C-O 121.193 0.521 . . . . 0.0 110.013 -178.885 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.81 HD23 ' N ' ' A' ' 22' ' ' ASN . 3.0 tt -56.46 157.97 4.71 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.626 -0.715 . . . . 0.0 110.532 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . 0.81 ' N ' HD23 ' A' ' 21' ' ' LEU . 54.0 t-20 -41.84 133.4 2.84 Favored 'General case' 0 N--CA 1.47 0.574 0 N-CA-C 112.16 0.43 . . . . 0.0 112.16 -179.747 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -54.95 -26.39 35.99 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.945 -0.57 . . . . 0.0 111.892 -179.378 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -69.7 -36.58 76.06 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.668 0.271 . . . . 0.0 111.022 -179.738 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . 0.803 ' HB3' HD22 ' A' ' 21' ' ' LEU . 2.5 t80 -74.66 -41.13 60.87 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 109.372 -0.603 . . . . 0.0 109.372 179.107 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 59.0 mt -62.02 -45.95 97.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 115.517 -0.765 . . . . 0.0 109.893 178.745 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -71.16 -33.6 70.17 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.163 179.458 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.574 HD23 ' N ' ' A' ' 29' ' ' ILE . 0.9 OUTLIER -66.57 -47.43 72.81 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.827 -0.624 . . . . 0.0 109.946 179.316 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.695 HD11 ' CD2' ' A' ' 25' ' ' PHE . 6.6 mt -67.96 -32.17 55.14 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.071 179.254 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.409 ' HB2' ' CE1' ' A' ' 13' ' ' TYR . 4.7 tt0 -76.31 -32.74 58.9 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.149 179.157 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 6.7 m120 -68.91 -28.13 66.4 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.801 -0.636 . . . . 0.0 111.1 179.743 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 2.7 tp10 -80.36 -45.69 17.32 Favored 'General case' 0 CA--C 1.519 -0.247 0 N-CA-C 109.56 -0.534 . . . . 0.0 109.56 179.269 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.671 HG23 ' HB3' ' A' ' 38' ' ' LEU . 65.3 mt -64.56 -31.8 55.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 CA-C-N 115.435 -0.802 . . . . 0.0 109.906 178.784 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 21.2 mttt -70.74 -46.67 62.57 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.2 -0.454 . . . . 0.0 109.864 179.299 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 21.4 mtm180 -70.93 -24.35 62.43 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.63 179.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 17.7 mtt-85 -81.92 4.43 22.57 Favored 'General case' 0 CA--C 1.534 0.344 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.873 179.904 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 3.5 t 61.31 33.97 18.73 Favored 'General case' 0 CA--C 1.523 -0.062 0 CA-C-O 121.119 0.485 . . . . 0.0 110.311 -179.572 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.775 ' CD2' HD11 ' A' ' 10' ' ' ILE . 9.8 tp -123.15 28.18 7.26 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.599 -0.728 . . . . 0.0 110.642 -179.361 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -69.65 -8.74 60.78 Favored Glycine 0 C--N 1.334 0.468 0 C-N-CA 120.989 -0.624 . . . . 0.0 113.044 179.765 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -81.95 -31.71 31.13 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 117.379 0.589 . . . . 0.0 109.7 178.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.782 HG12 HD13 ' A' ' 10' ' ' ILE . 6.9 tp -61.03 -32.87 53.76 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.292 0 CA-C-N 115.749 -0.659 . . . . 0.0 110.116 178.867 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.854 HD12 HG21 ' A' ' 44' ' ' VAL . 14.4 pt -84.23 152.36 3.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 115.208 -0.906 . . . . 0.0 110.879 179.852 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 8.4 t -75.51 64.54 1.63 Allowed 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.105 0.479 . . . . 0.0 110.098 179.459 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.854 HG21 HD12 ' A' ' 42' ' ' ILE . 27.5 t -122.84 153.04 27.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 115.827 -0.624 . . . . 0.0 111.385 -179.1 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 76.2 p -116.99 89.6 3.15 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.52 179.372 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 2.7 p . . . . . 0 C--O 1.249 1.043 0 CA-C-O 118.133 -0.937 . . . . 0.0 110.945 -179.971 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.463 ' SD ' HD21 ' A' ' 28' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.362 0 CA-C-O 120.812 0.339 . . . . 0.0 111.016 . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 6.7 mtt180 -83.01 -51.46 7.55 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.922 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . 0.751 ' O ' HD23 ' A' ' 4' ' ' LEU . 17.1 ttpt -178.25 100.6 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.804 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.751 HD23 ' O ' ' A' ' 3' ' ' LYS . 4.8 mt -140.08 144.75 36.97 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.35 -0.387 . . . . 0.0 110.922 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 8.2 m -67.17 165.11 16.68 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.497 179.56 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . 0.48 ' O ' HD12 ' A' ' 10' ' ' ILE . 0.3 OUTLIER -58.1 -24.58 59.16 Favored 'General case' 0 N--CA 1.466 0.37 0 CA-C-O 120.826 0.346 . . . . 0.0 110.195 179.338 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -74.79 -37.97 62.25 Favored 'General case' 0 N--CA 1.455 -0.208 0 CA-C-O 120.876 0.37 . . . . 0.0 110.244 179.512 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -81.99 -32.85 30.43 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.56 179.38 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.525 HD21 HG13 ' A' ' 33' ' ' ILE . 15.4 tp -75.2 -44.02 48.72 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.744 179.751 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.806 HD11 HD21 ' A' ' 38' ' ' LEU . 62.2 mt -69.75 -37.79 74.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.594 179.85 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -61.28 -27.82 68.74 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.044 178.628 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 69.0 m -71.92 -47.02 55.51 Favored 'General case' 0 CA--C 1.521 -0.156 0 N-CA-C 109.743 -0.465 . . . . 0.0 109.743 179.121 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.651 ' O ' HG23 ' A' ' 17' ' ' THR . 65.2 t80 -64.01 -38.43 91.05 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.049 179.045 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.466 ' CZ ' ' CG2' ' A' ' 10' ' ' ILE . 12.3 m-30 -72.87 -43.21 62.82 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.481 -0.781 . . . . 0.0 110.75 179.816 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 28.4 mtmt -65.21 -47.92 75.2 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.625 179.42 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.583 ' HB1' ' HB3' ' A' ' 21' ' ' LEU . . . -63.8 -33.76 76.4 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.95 -0.568 . . . . 0.0 111.784 -179.702 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.651 HG23 ' O ' ' A' ' 13' ' ' TYR . 14.9 p -68.06 -32.59 73.04 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.803 0.335 . . . . 0.0 110.465 179.807 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -76.84 -48.01 19.7 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.482 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . 0.829 ' CE ' HD12 ' A' ' 21' ' ' LEU . 3.6 ptt? -80.08 -14.58 58.41 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.218 -0.446 . . . . 0.0 112.084 -179.59 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 12.5 m120 74.02 37.16 0.65 Allowed 'General case' 0 N--CA 1.463 0.201 0 CA-C-O 121.161 0.505 . . . . 0.0 110.141 -178.948 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.829 HD12 ' CE ' ' A' ' 19' ' ' MET . 2.8 tt -54.37 160.36 1.71 Allowed 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 115.588 -0.733 . . . . 0.0 110.541 179.88 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . 0.801 ' N ' HD23 ' A' ' 21' ' ' LEU . 10.4 t-20 -41.71 133.19 2.79 Favored 'General case' 0 N--CA 1.472 0.628 0 N-CA-C 112.079 0.399 . . . . 0.0 112.079 -179.674 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 6.1 tpp85 -54.5 -28.81 47.71 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.778 -179.36 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -66.55 -35.45 80.26 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 120.733 0.301 . . . . 0.0 110.998 -179.721 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . 0.674 ' HB3' HD22 ' A' ' 21' ' ' LEU . 2.4 t80 -74.64 -43.59 54.66 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 109.263 -0.643 . . . . 0.0 109.263 179.092 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 58.4 mt -61.99 -45.77 97.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 115.531 -0.758 . . . . 0.0 110.056 178.882 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -71.13 -32.8 69.43 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.426 179.623 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.591 HD23 ' N ' ' A' ' 29' ' ' ILE . 0.7 OUTLIER -67.45 -47.27 70.64 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.07 179.569 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.591 ' N ' HD23 ' A' ' 28' ' ' LEU . 10.4 mt -69.04 -32.35 53.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.107 179.197 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.407 ' HB2' ' CE1' ' A' ' 13' ' ' TYR . 5.8 tt0 -76.56 -32.87 58.45 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.343 179.171 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 49.8 m-20 -68.56 -29.56 68.13 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.815 -0.629 . . . . 0.0 110.982 179.904 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 8.9 tp10 -80.22 -45.8 17.39 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 109.542 -0.54 . . . . 0.0 109.542 179.139 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.741 HG23 ' HB3' ' A' ' 38' ' ' LEU . 47.1 mt -63.31 -32.18 55.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-N 115.358 -0.837 . . . . 0.0 109.76 178.793 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 22.0 mttt -69.64 -47.99 61.46 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.196 179.545 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 1.3 tmt_? -70.74 -24.26 62.59 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.811 179.143 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 30.5 mtt180 -81.39 3.92 22.71 Favored 'General case' 0 CA--C 1.534 0.342 0 N-CA-C 112.093 0.405 . . . . 0.0 112.093 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 3.7 t 62.23 34.71 15.87 Favored 'General case' 0 C--O 1.232 0.133 0 CA-C-O 121.063 0.458 . . . . 0.0 110.371 -179.757 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.806 HD21 HD11 ' A' ' 10' ' ' ILE . 7.8 tp -123.02 27.48 7.63 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.634 -0.712 . . . . 0.0 110.449 -179.707 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -71.22 -7.24 62.82 Favored Glycine 0 C--N 1.337 0.598 0 C-N-CA 121.017 -0.611 . . . . 0.0 113.015 179.891 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' HIS . . . . . 0.415 ' CD2' ' N ' ' A' ' 41' ' ' ILE . 3.2 p-80 -84.53 -32.08 24.08 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 117.315 0.558 . . . . 0.0 109.581 178.932 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.724 HG22 ' O ' ' A' ' 38' ' ' LEU . 5.9 tp -60.9 -32.97 53.68 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.281 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.027 179.084 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.89 HD12 HG21 ' A' ' 44' ' ' VAL . 14.0 pt -81.67 155.34 4.12 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.19 0 CA-C-N 115.215 -0.902 . . . . 0.0 111.145 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 10.9 t -77.1 63.55 2.39 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.16 0.505 . . . . 0.0 110.141 179.302 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.89 HG21 HD12 ' A' ' 42' ' ' ILE . 38.4 t -122.69 146.29 28.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 115.699 -0.682 . . . . 0.0 111.22 -179.084 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -102.06 89.44 3.62 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.491 179.485 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 39.6 t . . . . . 0 C--O 1.251 1.134 0 CA-C-O 118.195 -0.907 . . . . 0.0 110.927 -179.977 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.48 ' HG2' HD13 ' A' ' 9' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.365 0 CA-C-O 120.8 0.333 . . . . 0.0 111.043 . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 2.0 ttt180 -83.15 -51.2 7.71 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.095 -179.891 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . 0.589 ' O ' HD23 ' A' ' 4' ' ' LEU . 0.9 OUTLIER -178.22 93.92 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.009 179.988 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.589 HD23 ' O ' ' A' ' 3' ' ' LYS . 4.8 mt -133.74 145.39 49.79 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.764 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 64.7 m -60.19 162.15 6.23 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.577 179.641 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . 0.463 ' O ' HD12 ' A' ' 10' ' ' ILE . 1.0 OUTLIER -57.43 -25.94 60.39 Favored 'General case' 0 N--CA 1.464 0.275 0 CA-C-O 120.884 0.373 . . . . 0.0 110.316 179.523 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -73.18 -35.9 66.48 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.218 179.395 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -81.05 -35.21 32.09 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.665 179.363 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.524 HD21 HG13 ' A' ' 33' ' ' ILE . 14.9 tp -74.36 -44.59 51.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.777 179.828 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.825 HD11 HD21 ' A' ' 38' ' ' LEU . 51.6 mt -69.87 -35.46 64.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.551 179.87 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -62.1 -28.42 69.61 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.182 178.735 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -73.65 -45.82 50.38 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-O 121.016 0.436 . . . . 0.0 109.835 179.255 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.66 ' O ' HG23 ' A' ' 17' ' ' THR . 63.4 t80 -64.16 -38.19 90.18 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.871 -0.604 . . . . 0.0 109.776 178.786 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.451 ' CZ ' ' CG2' ' A' ' 10' ' ' ILE . 7.1 m-30 -73.2 -46.38 50.82 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.471 -0.786 . . . . 0.0 110.462 179.68 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 7.5 mmpt? -65.48 -45.64 82.87 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.817 -0.628 . . . . 0.0 110.499 179.361 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.483 ' HB1' ' HB3' ' A' ' 21' ' ' LEU . . . -63.07 -35.04 78.93 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.83 -0.623 . . . . 0.0 111.627 -179.579 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.66 HG23 ' O ' ' A' ' 13' ' ' TYR . 18.5 p -68.94 -32.59 72.3 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.958 0.409 . . . . 0.0 110.454 179.73 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -75.76 -46.17 32.31 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.456 -179.879 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . 0.786 ' CE ' HD12 ' A' ' 21' ' ' LEU . 3.7 ptt? -82.54 -15.29 52.88 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 112.162 0.43 . . . . 0.0 112.162 -179.49 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 18.4 m-80 74.26 39.76 0.47 Allowed 'General case' 0 N--CA 1.463 0.196 0 CA-C-O 121.254 0.549 . . . . 0.0 109.934 -178.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.802 HD23 ' N ' ' A' ' 22' ' ' ASN . 2.7 tt -55.77 159.45 3.07 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 115.45 -0.795 . . . . 0.0 110.547 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . 0.802 ' N ' HD23 ' A' ' 21' ' ' LEU . 61.6 t30 -41.34 131.4 2.83 Favored 'General case' 0 N--CA 1.47 0.557 0 N-CA-C 112.158 0.429 . . . . 0.0 112.158 -179.859 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.43 -32.57 27.1 Favored 'General case' 0 N--CA 1.464 0.265 0 CA-C-N 115.909 -0.587 . . . . 0.0 112.099 -179.267 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 1.9 t0 -65.14 -35.78 82.18 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.584 -0.28 . . . . 0.0 111.304 -179.522 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . 0.725 ' HB3' HD22 ' A' ' 21' ' ' LEU . 2.5 t80 -74.68 -43.91 52.84 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 179.239 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 56.3 mt -61.31 -46.1 97.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 115.63 -0.714 . . . . 0.0 110.062 178.909 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -70.66 -33.14 70.64 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.077 0.465 . . . . 0.0 110.336 179.66 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.586 HD23 ' N ' ' A' ' 29' ' ' ILE . 0.8 OUTLIER -67.79 -46.67 71.31 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.0 179.439 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.652 HD11 ' CD2' ' A' ' 25' ' ' PHE . 6.1 mt -68.14 -32.95 58.15 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.108 179.178 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.408 ' HG3' ' CZ ' ' A' ' 13' ' ' TYR . 8.4 tt0 -76.49 -32.65 58.47 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.288 179.51 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 6.8 m120 -69.46 -28.88 66.48 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.94 -0.573 . . . . 0.0 111.152 179.883 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -80.5 -45.2 17.9 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.221 0.534 . . . . 0.0 109.608 179.295 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.669 HG23 ' HB3' ' A' ' 38' ' ' LEU . 44.4 mt -63.35 -32.21 55.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-N 115.394 -0.821 . . . . 0.0 109.744 178.722 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 14.9 mtmt -71.49 -49.03 45.14 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.156 179.404 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 1.4 tpt180 -69.37 -24.2 63.84 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.635 179.133 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 39.9 mtt180 -82.73 5.85 20.0 Favored 'General case' 0 CA--C 1.533 0.322 0 N-CA-C 112.18 0.437 . . . . 0.0 112.18 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 24.1 t 60.75 34.74 19.79 Favored 'General case' 0 C--O 1.231 0.125 0 CA-C-O 121.092 0.472 . . . . 0.0 110.458 -179.857 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.825 HD21 HD11 ' A' ' 10' ' ' ILE . 8.0 tp -123.11 25.07 8.65 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.667 -0.697 . . . . 0.0 110.76 -179.606 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -69.07 -9.65 60.52 Favored Glycine 0 C--N 1.335 0.522 0 C-N-CA 120.967 -0.635 . . . . 0.0 112.968 179.83 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 7.6 p-80 -81.14 -33.07 33.41 Favored 'General case' 0 N--CA 1.454 -0.272 0 CA-C-N 117.269 0.534 . . . . 0.0 109.689 179.025 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.738 HG22 ' O ' ' A' ' 38' ' ' LEU . 6.1 tp -59.87 -33.36 52.32 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.31 0 CA-C-O 121.418 0.628 . . . . 0.0 109.928 178.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.63 HD12 HG21 ' A' ' 44' ' ' VAL . 15.2 pt -85.38 178.15 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.188 0 CA-C-N 114.991 -1.004 . . . . 0.0 110.395 179.477 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 15.1 t -88.28 53.64 2.8 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.257 0.551 . . . . 0.0 110.024 179.22 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.63 HG21 HD12 ' A' ' 42' ' ' ILE . 48.5 t -123.08 146.06 29.0 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.336 0 CA-C-N 115.719 -0.673 . . . . 0.0 111.398 -178.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 3.8 m -110.77 89.35 3.01 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.516 179.381 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 40.1 t . . . . . 0 C--O 1.249 1.053 0 CA-C-O 118.37 -0.824 . . . . 0.0 110.966 179.987 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.487 1.391 0 CA-C-O 120.837 0.351 . . . . 0.0 111.206 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 40.7 mtp180 -76.3 -51.13 12.6 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.97 -179.883 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . 0.478 ' C ' HD23 ' A' ' 4' ' ' LEU . 5.1 pttt -170.77 95.18 0.21 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.022 179.921 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.478 HD23 ' C ' ' A' ' 3' ' ' LYS . 5.1 mt -119.24 147.26 44.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.7 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -59.89 160.28 7.95 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.396 179.584 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . 0.487 ' O ' HD12 ' A' ' 10' ' ' ILE . 0.2 OUTLIER -57.19 -27.28 61.81 Favored 'General case' 0 N--CA 1.469 0.476 0 CA-C-O 120.986 0.422 . . . . 0.0 110.048 179.555 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -76.02 -34.6 59.69 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.255 179.432 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -79.69 -38.07 34.36 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.002 179.602 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.485 HD21 HG13 ' A' ' 33' ' ' ILE . 45.5 tp -74.97 -44.5 48.01 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.988 -179.919 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.77 HD11 ' CD2' ' A' ' 38' ' ' LEU . 62.0 mt -69.73 -33.91 58.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.625 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -62.61 -28.6 70.01 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.069 178.65 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 49.4 m -72.6 -46.03 56.18 Favored 'General case' 0 N--CA 1.454 -0.225 0 N-CA-C 109.687 -0.486 . . . . 0.0 109.687 179.342 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.716 ' O ' HG23 ' A' ' 17' ' ' THR . 75.6 t80 -65.09 -39.06 92.63 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.86 -0.609 . . . . 0.0 109.98 178.933 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.458 ' CZ ' ' CG2' ' A' ' 10' ' ' ILE . 7.2 m-30 -72.25 -42.66 65.4 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.628 -0.715 . . . . 0.0 110.545 179.721 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.44 -45.38 80.03 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.332 179.241 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -59.69 -36.11 75.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.915 -0.584 . . . . 0.0 111.419 -179.782 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.716 HG23 ' O ' ' A' ' 13' ' ' TYR . 59.4 p -69.77 -32.55 71.11 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.95 0.405 . . . . 0.0 110.285 179.506 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -77.14 -45.18 27.69 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.619 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . 0.802 ' CE ' HD12 ' A' ' 21' ' ' LEU . 3.5 ptt? -83.79 -15.91 46.68 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 112.184 0.439 . . . . 0.0 112.184 -179.432 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 21.6 m-20 75.53 37.68 0.42 Allowed 'General case' 0 N--CA 1.464 0.271 0 CA-C-O 121.082 0.468 . . . . 0.0 110.144 -179.049 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.82 HD23 ' N ' ' A' ' 22' ' ' ASN . 3.1 tt -57.76 156.97 7.92 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.725 -0.671 . . . . 0.0 110.397 179.928 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . 0.82 ' N ' HD23 ' A' ' 21' ' ' LEU . 48.9 t30 -41.31 137.46 1.43 Allowed 'General case' 0 N--CA 1.472 0.637 0 N-CA-C 112.272 0.471 . . . . 0.0 112.272 -179.646 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.1 -31.42 63.25 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.934 -0.575 . . . . 0.0 111.622 -179.409 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -64.74 -32.98 74.91 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.79 0.329 . . . . 0.0 110.848 -179.757 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . 0.781 ' CB ' HD22 ' A' ' 21' ' ' LEU . 3.4 t80 -76.02 -45.93 31.97 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 109.249 -0.648 . . . . 0.0 109.249 179.081 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 63.9 mt -59.42 -42.94 89.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 115.513 -0.767 . . . . 0.0 110.178 178.862 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -74.67 -33.15 62.42 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.387 179.602 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.599 HD23 ' N ' ' A' ' 29' ' ' ILE . 0.6 OUTLIER -67.07 -46.69 73.53 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.758 -0.656 . . . . 0.0 110.077 179.489 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.641 HD11 ' CD2' ' A' ' 25' ' ' PHE . 10.5 mt -68.27 -32.13 54.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.151 179.25 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.49 ' OE2' HG13 ' A' ' 44' ' ' VAL . 0.8 OUTLIER -76.25 -32.31 58.8 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.174 179.184 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 4.7 m-20 -70.01 -28.67 65.68 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.925 179.731 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -80.28 -46.73 15.69 Favored 'General case' 0 CA--C 1.519 -0.24 0 N-CA-C 109.406 -0.591 . . . . 0.0 109.406 179.181 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.664 HG23 ' HB3' ' A' ' 38' ' ' LEU . 45.0 mt -63.62 -32.67 57.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-N 115.351 -0.84 . . . . 0.0 109.577 178.604 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 5.8 mmtt -69.01 -47.65 64.95 Favored 'General case' 0 N--CA 1.456 -0.143 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.08 179.319 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 1.2 tpm_? -68.56 -22.67 64.47 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.578 178.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -84.63 7.66 19.5 Favored 'General case' 0 CA--C 1.533 0.319 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.868 179.726 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 2.6 t 59.29 33.57 22.6 Favored 'General case' 0 N--CA 1.461 0.082 0 CA-C-O 121.061 0.458 . . . . 0.0 110.465 -179.594 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.81 ' O ' HG22 ' A' ' 41' ' ' ILE . 8.5 tp -123.01 21.46 9.79 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.717 -0.674 . . . . 0.0 111.379 -179.413 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . 0.418 ' HA2' HG12 ' A' ' 42' ' ' ILE . . . -63.63 -25.31 68.76 Favored Glycine 0 C--N 1.334 0.444 0 C-N-CA 120.225 -0.988 . . . . 0.0 111.982 179.481 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -62.54 -24.56 67.58 Favored 'General case' 0 C--N 1.33 -0.244 0 O-C-N 122.451 -0.44 . . . . 0.0 110.598 179.243 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.81 HG22 ' O ' ' A' ' 38' ' ' LEU . 6.2 tp -73.24 -30.72 31.8 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.437 0 CA-C-O 121.107 0.479 . . . . 0.0 110.626 179.828 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.458 ' CD1' HG22 ' A' ' 44' ' ' VAL . 18.8 pt -95.07 157.49 3.06 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.17 0 CA-C-N 115.627 -0.715 . . . . 0.0 111.362 -179.745 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 39.5 t -92.09 75.88 5.43 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 109.519 -0.548 . . . . 0.0 109.519 178.636 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.49 HG12 ' H ' ' A' ' 45' ' ' SER . 1.5 t -76.54 167.35 2.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.914 -178.657 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . 0.49 ' H ' HG12 ' A' ' 44' ' ' VAL . 12.7 t -91.9 90.88 7.64 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.87 179.923 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 49.4 m . . . . . 0 C--O 1.249 1.068 0 CA-C-O 118.222 -0.894 . . . . 0.0 110.922 179.942 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.574 ' CE ' HD21 ' A' ' 28' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.485 1.311 0 CA-C-O 120.806 0.336 . . . . 0.0 111.201 . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 34.8 ttt180 -83.6 -27.11 29.43 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.517 -179.812 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . 0.764 ' O ' HD23 ' A' ' 4' ' ' LEU . 0.0 OUTLIER -83.41 56.55 3.61 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.93 0.395 . . . . 0.0 111.456 -179.488 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.764 HD23 ' O ' ' A' ' 3' ' ' LYS . 1.1 mt -150.41 141.49 23.04 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.715 179.722 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -68.0 161.0 27.59 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.267 179.35 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . 0.5 ' O ' HD12 ' A' ' 10' ' ' ILE . 0.6 OUTLIER -57.35 -27.39 62.21 Favored 'General case' 0 N--CA 1.465 0.305 0 CA-C-O 120.961 0.41 . . . . 0.0 109.991 179.351 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -71.6 -39.26 70.61 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.232 179.296 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -79.27 -35.72 40.93 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.654 179.413 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.482 HD21 HG13 ' A' ' 33' ' ' ILE . 14.7 tp -72.68 -43.9 62.5 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.699 179.911 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.826 HD11 HD21 ' A' ' 38' ' ' LEU . 49.5 mt -71.52 -35.2 55.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.264 179.639 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -62.02 -28.63 69.71 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.209 178.696 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 24.2 m -73.87 -45.67 49.53 Favored 'General case' 0 C--N 1.332 -0.192 0 N-CA-C 109.611 -0.514 . . . . 0.0 109.611 179.253 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.738 ' O ' HG23 ' A' ' 17' ' ' THR . 59.8 t80 -64.48 -38.66 91.78 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.916 -0.584 . . . . 0.0 109.82 178.834 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.452 ' CZ ' ' CG2' ' A' ' 10' ' ' ILE . 8.1 m-30 -72.51 -46.02 56.62 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.581 -0.736 . . . . 0.0 110.294 179.618 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 3.5 mmpt? -65.63 -39.25 91.26 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.646 179.454 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.56 ' HB1' ' HB3' ' A' ' 21' ' ' LEU . . . -68.89 -38.45 79.65 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.939 -0.573 . . . . 0.0 111.821 -179.503 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.738 HG23 ' O ' ' A' ' 13' ' ' TYR . 39.5 p -66.17 -32.54 74.04 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.869 0.366 . . . . 0.0 110.608 179.848 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -74.44 -45.54 45.79 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.504 -179.731 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . 0.744 ' CE ' HD12 ' A' ' 21' ' ' LEU . 4.9 ptp -83.37 -14.21 53.28 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 112.295 0.48 . . . . 0.0 112.295 -179.38 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 11.6 m-80 75.09 38.95 0.41 Allowed 'General case' 0 N--CA 1.463 0.189 0 CA-C-O 121.27 0.557 . . . . 0.0 109.84 -178.806 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.775 HD23 ' N ' ' A' ' 22' ' ' ASN . 2.4 tt -55.44 160.63 2.27 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 115.365 -0.834 . . . . 0.0 110.592 -179.76 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . 0.775 ' N ' HD23 ' A' ' 21' ' ' LEU . 4.8 t-20 -41.99 132.28 3.2 Favored 'General case' 0 N--CA 1.47 0.575 0 N-CA-C 112.15 0.426 . . . . 0.0 112.15 -179.655 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 2.3 tpp180 -55.61 -27.9 52.13 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.011 -0.541 . . . . 0.0 111.774 -179.442 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 9.5 m-20 -69.31 -36.56 77.11 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.698 0.285 . . . . 0.0 110.922 -179.744 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . 0.813 ' CD2' HD11 ' A' ' 29' ' ' ILE . 4.9 t80 -74.94 -42.3 57.98 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 109.275 -0.639 . . . . 0.0 109.275 179.13 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 57.7 mt -60.45 -44.44 96.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 115.559 -0.746 . . . . 0.0 109.896 178.783 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -72.77 -33.41 66.29 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.242 179.433 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.598 HD23 ' N ' ' A' ' 29' ' ' ILE . 0.7 OUTLIER -66.35 -47.41 73.53 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.723 -0.671 . . . . 0.0 110.038 179.491 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.813 HD11 ' CD2' ' A' ' 25' ' ' PHE . 6.7 mt -67.9 -32.34 55.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.166 179.267 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.411 ' HB2' ' CE1' ' A' ' 13' ' ' TYR . 3.4 tt0 -76.33 -33.22 59.0 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.96 -0.563 . . . . 0.0 110.093 179.25 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 43.2 m-20 -68.01 -29.26 68.22 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.982 179.73 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 1.4 tp10 -80.43 -46.84 15.28 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 109.428 -0.582 . . . . 0.0 109.428 179.175 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.701 HG23 ' HB3' ' A' ' 38' ' ' LEU . 46.2 mt -63.68 -31.89 54.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-N 115.314 -0.857 . . . . 0.0 109.702 178.53 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 20.1 mttt -71.65 -48.37 48.21 Favored 'General case' 0 N--CA 1.456 -0.157 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.232 179.473 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 58.0 ttt180 -70.33 -23.52 62.84 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.703 179.028 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 18.7 mtt180 -82.75 5.44 21.4 Favored 'General case' 0 CA--C 1.535 0.369 0 CA-C-N 116.27 -0.423 . . . . 0.0 112.001 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 33.7 t 61.51 34.98 17.7 Favored 'General case' 0 C--O 1.232 0.147 0 CA-C-O 121.077 0.465 . . . . 0.0 110.386 -179.82 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.826 HD21 HD11 ' A' ' 10' ' ' ILE . 8.1 tp -123.01 26.83 7.93 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.639 -0.709 . . . . 0.0 110.567 -179.656 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -71.34 -7.2 63.27 Favored Glycine 0 C--N 1.335 0.489 0 C-N-CA 121.006 -0.616 . . . . 0.0 113.025 179.773 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 16.7 t60 -83.92 -31.74 25.48 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 109.587 -0.523 . . . . 0.0 109.587 178.795 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.729 HG22 ' O ' ' A' ' 38' ' ' LEU . 6.1 tp -60.9 -33.38 55.32 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.317 0 CA-C-N 115.787 -0.642 . . . . 0.0 109.982 179.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.883 HD12 HG21 ' A' ' 44' ' ' VAL . 14.0 pt -82.51 155.61 3.94 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.19 0 CA-C-N 115.102 -0.954 . . . . 0.0 110.947 179.808 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 15.6 t -77.85 63.28 2.85 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.206 0.527 . . . . 0.0 110.182 179.393 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.883 HG21 HD12 ' A' ' 42' ' ' ILE . 24.9 t -122.78 160.31 25.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 115.741 -0.663 . . . . 0.0 111.255 -179.088 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . 0.472 ' N ' HG12 ' A' ' 44' ' ' VAL . 1.4 m -102.65 89.38 3.49 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.59 179.478 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.4 m . . . . . 0 C--O 1.249 1.039 0 CA-C-O 118.341 -0.837 . . . . 0.0 110.91 179.936 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.474 ' HG3' HD21 ' A' ' 28' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.391 0 CA-C-O 120.796 0.331 . . . . 0.0 111.202 . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 6.4 ttt85 -83.11 -51.17 7.75 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.047 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . 0.533 ' C ' HD23 ' A' ' 4' ' ' LEU . 0.0 OUTLIER -164.45 96.76 0.77 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.09 -179.895 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.533 HD23 ' C ' ' A' ' 3' ' ' LYS . 2.6 mt -125.72 144.04 50.79 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.669 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.5 m -59.82 158.9 9.71 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.47 179.542 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . 0.428 ' HB3' HD21 ' A' ' 38' ' ' LEU . 4.9 m-20 -53.64 -28.61 33.88 Favored 'General case' 0 N--CA 1.464 0.227 0 CA-C-O 120.924 0.393 . . . . 0.0 110.268 179.722 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -68.78 -36.79 78.74 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.459 179.352 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -81.51 -38.33 26.44 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.863 -0.608 . . . . 0.0 111.176 179.595 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.431 HD23 HG12 ' A' ' 33' ' ' ILE . 12.4 tp -75.48 -36.61 60.6 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.367 -179.511 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.647 HD11 HD21 ' A' ' 38' ' ' LEU . 70.5 mt -75.15 -40.11 43.83 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-O 120.784 0.326 . . . . 0.0 110.457 179.92 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -60.91 -28.9 69.26 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.309 178.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 1.6 t -74.81 -44.27 50.28 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-O 121.072 0.463 . . . . 0.0 109.903 179.254 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.567 ' O ' HG23 ' A' ' 17' ' ' THR . 44.6 t80 -69.58 -36.59 76.41 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.646 -0.706 . . . . 0.0 110.11 179.297 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.599 ' CE1' HG23 ' A' ' 10' ' ' ILE . 6.1 m-30 -75.09 -38.67 61.12 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.703 -0.681 . . . . 0.0 110.41 179.837 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 3.2 mmpt? -66.47 -54.87 19.2 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.403 179.018 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.594 ' HB1' ' HB3' ' A' ' 21' ' ' LEU . . . -59.59 -31.58 69.6 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.915 -0.584 . . . . 0.0 111.66 -179.623 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.567 HG23 ' O ' ' A' ' 13' ' ' TYR . 5.4 p -69.85 -32.78 71.35 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.878 0.371 . . . . 0.0 110.369 179.754 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -77.6 -46.21 22.86 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.365 -179.885 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . 0.832 ' CE ' HD12 ' A' ' 21' ' ' LEU . 3.1 ptt? -81.8 -15.43 54.24 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.177 -0.465 . . . . 0.0 112.186 -179.449 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 6.3 m120 73.99 39.62 0.5 Allowed 'General case' 0 N--CA 1.463 0.183 0 CA-C-O 121.139 0.495 . . . . 0.0 110.099 -178.907 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.832 HD12 ' CE ' ' A' ' 19' ' ' MET . 2.6 tt -55.98 160.99 2.51 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.544 -0.753 . . . . 0.0 110.571 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . 0.789 ' N ' HD23 ' A' ' 21' ' ' LEU . 6.4 t-20 -40.86 136.53 1.41 Allowed 'General case' 0 N--CA 1.471 0.596 0 N-CA-C 112.336 0.495 . . . . 0.0 112.336 -179.65 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -55.47 -33.09 63.35 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.945 -0.571 . . . . 0.0 111.738 -179.365 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -64.56 -35.05 79.72 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.552 -0.295 . . . . 0.0 111.217 -179.502 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . 0.784 ' CD2' HD11 ' A' ' 29' ' ' ILE . 4.5 t80 -74.81 -45.31 44.31 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 109.551 -0.537 . . . . 0.0 109.551 179.389 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 45.7 mt -61.82 -41.84 92.24 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 115.7 -0.682 . . . . 0.0 110.031 179.023 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -73.58 -33.73 64.78 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.112 0.482 . . . . 0.0 110.248 179.344 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.577 HD23 ' N ' ' A' ' 29' ' ' ILE . 0.8 OUTLIER -68.64 -45.67 71.2 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.653 -0.703 . . . . 0.0 110.228 179.597 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.784 HD11 ' CD2' ' A' ' 25' ' ' PHE . 10.3 mt -68.11 -32.66 56.95 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.062 179.356 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.412 ' HB2' ' CE1' ' A' ' 13' ' ' TYR . 4.7 tm-20 -76.6 -33.0 58.43 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.516 179.372 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 43.6 m-20 -67.04 -32.59 73.89 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.945 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.413 ' HG2' HD21 ' A' ' 9' ' ' LEU . 48.4 tt0 -79.16 -45.58 19.66 Favored 'General case' 0 C--N 1.328 -0.37 0 CA-C-O 121.317 0.579 . . . . 0.0 109.469 179.177 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.632 HG23 ' HB3' ' A' ' 38' ' ' LEU . 81.5 mt -63.08 -31.52 52.92 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-N 115.341 -0.845 . . . . 0.0 109.576 178.513 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 17.1 mmtt -71.59 -49.29 41.79 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.637 179.559 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.85 -22.92 63.23 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.767 179.203 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -83.71 6.66 20.23 Favored 'General case' 0 CA--C 1.533 0.319 0 N-CA-C 112.171 0.434 . . . . 0.0 112.171 -179.865 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 26.9 t 61.75 34.73 17.18 Favored 'General case' 0 C--O 1.23 0.067 0 CA-C-O 121.221 0.534 . . . . 0.0 110.182 -179.502 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.647 HD21 HD11 ' A' ' 10' ' ' ILE . 11.4 tp -122.46 22.38 9.99 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.283 -0.871 . . . . 0.0 110.762 -179.432 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -76.81 -2.14 75.34 Favored Glycine 0 C--N 1.335 0.527 0 C-N-CA 120.747 -0.74 . . . . 0.0 113.053 179.864 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 4.9 p-80 -88.99 -30.75 18.52 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 117.151 0.475 . . . . 0.0 109.934 179.147 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.507 HG12 HD13 ' A' ' 10' ' ' ILE . 5.6 tp -62.66 -38.63 82.1 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.221 0 CA-C-O 121.605 0.717 . . . . 0.0 109.25 179.353 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.883 HD12 HG21 ' A' ' 44' ' ' VAL . 14.1 pt -70.55 164.82 2.97 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 114.653 -1.158 . . . . 0.0 110.771 179.538 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 13.3 t -84.7 58.49 4.96 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.172 0.511 . . . . 0.0 110.086 179.311 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.883 HG21 HD12 ' A' ' 42' ' ' ILE . 21.3 t -122.59 160.63 24.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 115.72 -0.673 . . . . 0.0 111.167 -179.157 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . 0.483 ' N ' HG12 ' A' ' 44' ' ' VAL . 2.3 p -97.14 89.34 4.75 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.97 0.414 . . . . 0.0 110.49 179.473 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 77.3 p . . . . . 0 C--O 1.249 1.06 0 CA-C-O 118.232 -0.89 . . . . 0.0 110.916 179.995 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.411 ' HB2' ' CD1' ' A' ' 4' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.362 0 CA-C-O 120.497 0.189 . . . . 0.0 111.01 . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 1.6 ttt180 -46.96 -35.98 7.17 Favored 'General case' 0 N--CA 1.466 0.346 0 CA-C-O 120.749 0.309 . . . . 0.0 111.754 -179.681 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . 0.768 ' C ' HD23 ' A' ' 4' ' ' LEU . 29.1 tttt -177.29 77.36 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.018 179.9 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.768 HD23 ' C ' ' A' ' 3' ' ' LYS . 3.0 mt -123.56 155.41 37.68 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.93 179.769 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.9 m -60.57 149.57 34.37 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.545 179.612 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . 0.586 ' O ' HD12 ' A' ' 10' ' ' ILE . 0.1 OUTLIER -60.43 -31.65 70.61 Favored 'General case' 0 C--N 1.33 -0.269 0 N-CA-C 109.822 -0.436 . . . . 0.0 109.822 179.5 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.84 -40.32 96.31 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.271 179.584 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 5.4 mp -79.79 -40.84 27.74 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.533 179.119 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.414 HD21 HG13 ' A' ' 33' ' ' ILE . 10.6 tp -61.65 -42.57 99.09 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.052 -0.522 . . . . 0.0 109.707 179.005 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.881 HD11 HD21 ' A' ' 38' ' ' LEU . 22.0 mt -73.68 -35.03 42.9 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.527 0 CA-C-N 115.688 -0.687 . . . . 0.0 109.804 178.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -61.17 -28.55 69.21 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.007 -0.542 . . . . 0.0 109.948 178.424 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -74.33 -46.45 40.75 Favored 'General case' 0 CA--C 1.52 -0.185 0 N-CA-C 109.445 -0.576 . . . . 0.0 109.445 179.104 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.827 ' O ' HG23 ' A' ' 17' ' ' THR . 74.2 t80 -62.89 -38.23 90.07 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.785 -0.643 . . . . 0.0 109.84 178.841 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.457 ' CE1' ' CG2' ' A' ' 10' ' ' ILE . 5.4 m-30 -73.01 -50.0 25.62 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.498 -0.774 . . . . 0.0 110.227 179.659 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 7.9 mmpt? -61.34 -43.01 99.59 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.503 179.364 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.522 ' HB1' ' HB3' ' A' ' 21' ' ' LEU . . . -62.11 -39.24 91.84 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.827 -0.624 . . . . 0.0 111.807 -179.43 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.827 HG23 ' O ' ' A' ' 13' ' ' TYR . 74.7 p -65.87 -32.41 73.91 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.891 0.377 . . . . 0.0 110.457 179.777 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -75.17 -47.57 27.75 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.535 -179.832 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . 0.777 ' HE3' HD12 ' A' ' 21' ' ' LEU . 3.6 ptt? -81.27 -13.76 58.13 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 112.272 0.471 . . . . 0.0 112.272 -179.417 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 10.4 m120 74.52 38.3 0.51 Allowed 'General case' 0 N--CA 1.463 0.178 0 CA-C-O 121.226 0.536 . . . . 0.0 110.185 -178.946 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.814 HD23 ' N ' ' A' ' 22' ' ' ASN . 3.2 tt -56.05 157.39 4.61 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 115.531 -0.759 . . . . 0.0 110.608 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . 0.814 ' N ' HD23 ' A' ' 21' ' ' LEU . 4.6 t-20 -43.28 131.52 4.63 Favored 'General case' 0 N--CA 1.468 0.461 0 N-CA-C 112.036 0.384 . . . . 0.0 112.036 -179.57 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -54.41 -27.09 34.45 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.976 -0.557 . . . . 0.0 111.802 -179.443 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 20.5 m-20 -67.24 -36.87 82.55 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.772 0.32 . . . . 0.0 110.824 -179.899 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . 0.784 ' HB3' HD22 ' A' ' 21' ' ' LEU . 2.5 t80 -75.65 -39.96 56.84 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 109.12 -0.696 . . . . 0.0 109.12 179.03 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 67.5 mt -62.83 -47.46 92.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 115.508 -0.769 . . . . 0.0 109.82 178.688 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 3.7 tp10 -69.16 -33.69 73.81 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.236 179.407 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.549 HD23 ' N ' ' A' ' 29' ' ' ILE . 1.1 tt -67.35 -46.81 72.29 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.116 179.483 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.688 HD11 ' CD2' ' A' ' 25' ' ' PHE . 7.7 mt -69.39 -32.35 52.92 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.115 179.221 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.408 ' HB2' ' CE1' ' A' ' 13' ' ' TYR . 9.6 tt0 -76.79 -31.82 57.24 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.219 179.156 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 6.5 m120 -70.48 -28.56 65.08 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.89 -0.596 . . . . 0.0 110.942 179.776 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -80.37 -46.01 16.77 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 109.497 -0.557 . . . . 0.0 109.497 179.254 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.725 HG23 ' HB3' ' A' ' 38' ' ' LEU . 42.8 mt -63.18 -32.02 54.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-N 115.358 -0.837 . . . . 0.0 109.71 178.64 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 27.9 mttt -69.68 -48.56 59.29 Favored 'General case' 0 N--CA 1.455 -0.177 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.32 179.449 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 2.9 tpt180 -70.88 -23.86 62.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.734 179.275 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 27.9 mtt-85 -81.14 3.33 23.9 Favored 'General case' 0 CA--C 1.535 0.37 0 N-CA-C 111.998 0.369 . . . . 0.0 111.998 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 21.5 t 63.29 33.83 13.73 Favored 'General case' 0 C--O 1.231 0.111 0 CA-C-O 121.068 0.461 . . . . 0.0 110.348 -179.824 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.881 HD21 HD11 ' A' ' 10' ' ' ILE . 8.0 tp -122.47 28.1 7.55 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.647 -0.706 . . . . 0.0 110.521 -179.807 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -71.42 -7.2 63.6 Favored Glycine 0 C--N 1.336 0.573 0 C-N-CA 121.017 -0.611 . . . . 0.0 112.993 179.73 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 12.6 t60 -84.21 -32.13 24.7 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 117.331 0.566 . . . . 0.0 109.664 178.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.717 HG22 ' O ' ' A' ' 38' ' ' LEU . 6.3 tp -60.99 -34.18 58.79 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.264 0 CA-C-N 115.747 -0.661 . . . . 0.0 109.963 179.163 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.864 HD12 HG21 ' A' ' 44' ' ' VAL . 14.1 pt -80.57 158.06 4.33 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.2 0 CA-C-N 115.115 -0.948 . . . . 0.0 110.903 179.81 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 24.3 t -79.22 62.34 3.57 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.28 0.562 . . . . 0.0 110.113 179.443 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.864 HG21 HD12 ' A' ' 42' ' ' ILE . 26.3 t -122.58 151.16 26.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 115.752 -0.658 . . . . 0.0 111.245 -179.219 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 2.4 m -102.95 89.55 3.49 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.929 0.395 . . . . 0.0 110.606 179.591 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.249 1.071 0 CA-C-O 118.288 -0.863 . . . . 0.0 110.872 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.486 1.36 0 CA-C-O 120.795 0.331 . . . . 0.0 111.099 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 9.1 tpt180 -83.04 -51.11 7.84 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.988 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . 0.527 ' C ' HD23 ' A' ' 4' ' ' LEU . 0.3 OUTLIER -169.29 90.46 0.21 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.868 -179.953 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.527 HD23 ' C ' ' A' ' 3' ' ' LYS . 3.4 mt -117.7 145.49 44.38 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.621 179.897 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 69.5 m -59.7 159.31 8.85 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.597 179.628 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . 0.418 ' HB3' ' CD2' ' A' ' 38' ' ' LEU . 0.8 OUTLIER -57.2 -27.47 62.0 Favored 'General case' 0 N--CA 1.467 0.391 0 CA-C-O 120.999 0.428 . . . . 0.0 110.175 179.468 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -73.34 -34.87 65.87 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.106 179.345 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -79.88 -37.11 35.51 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.639 179.323 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.497 HD21 HG13 ' A' ' 33' ' ' ILE . 15.5 tp -75.07 -46.71 32.93 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.773 -0.649 . . . . 0.0 110.827 179.864 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.744 HD13 HG12 ' A' ' 41' ' ' ILE . 58.2 mt -67.72 -34.56 68.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.638 -179.917 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -61.67 -28.77 69.63 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.178 178.584 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . 0.416 ' HB2' HD13 ' A' ' 29' ' ' ILE . 0.7 OUTLIER -72.97 -45.05 60.18 Favored 'General case' 0 N--CA 1.455 -0.181 0 N-CA-C 109.638 -0.505 . . . . 0.0 109.638 179.291 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.783 ' O ' HG23 ' A' ' 17' ' ' THR . 59.6 t80 -64.38 -38.39 90.87 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.781 -0.645 . . . . 0.0 109.768 178.851 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.464 ' CE2' HG22 ' A' ' 10' ' ' ILE . 14.8 m-30 -72.72 -46.41 53.73 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.512 -0.767 . . . . 0.0 110.571 179.682 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 40.7 mtmt -64.44 -45.72 86.27 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.385 179.47 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.408 ' HB1' ' HB3' ' A' ' 21' ' ' LEU . . . -59.78 -37.5 79.24 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.933 -0.576 . . . . 0.0 111.669 -179.805 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.783 HG23 ' O ' ' A' ' 13' ' ' TYR . 47.3 p -68.44 -32.21 72.07 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.895 0.378 . . . . 0.0 110.506 179.811 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -77.77 -44.46 27.52 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.02 -0.536 . . . . 0.0 111.61 -179.764 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . 0.806 ' CE ' HD12 ' A' ' 21' ' ' LEU . 3.8 ptt? -83.79 -15.55 48.01 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 112.172 0.434 . . . . 0.0 112.172 -179.384 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 8.1 m-80 75.6 36.38 0.48 Allowed 'General case' 0 N--CA 1.464 0.268 0 CA-C-O 121.076 0.465 . . . . 0.0 110.155 -179.125 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.823 HD23 ' N ' ' A' ' 22' ' ' ASN . 3.2 tt -56.12 157.68 4.51 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.606 -0.724 . . . . 0.0 110.605 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . 0.823 ' N ' HD23 ' A' ' 21' ' ' LEU . 57.8 t30 -42.37 135.56 2.63 Favored 'General case' 0 N--CA 1.47 0.534 0 N-CA-C 112.148 0.425 . . . . 0.0 112.148 -179.742 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -55.68 -27.93 52.79 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.0 -0.545 . . . . 0.0 111.773 -179.391 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -66.09 -35.68 81.16 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.718 0.294 . . . . 0.0 110.644 -179.831 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . 0.761 ' HB3' HD22 ' A' ' 21' ' ' LEU . 3.4 t80 -74.69 -43.64 54.16 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 109.259 -0.645 . . . . 0.0 109.259 178.943 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 60.6 mt -61.39 -46.32 96.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 115.499 -0.773 . . . . 0.0 110.168 178.902 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -71.0 -33.01 69.98 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.024 0.44 . . . . 0.0 110.412 179.605 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.561 HD23 ' N ' ' A' ' 29' ' ' ILE . 1.0 OUTLIER -68.11 -46.79 69.95 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.824 -0.625 . . . . 0.0 110.145 179.519 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.755 HD11 ' CD2' ' A' ' 25' ' ' PHE . 9.1 mt -69.4 -32.16 52.18 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.07 179.153 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.499 ' OE2' HG13 ' A' ' 44' ' ' VAL . 6.9 tt0 -76.41 -32.4 58.48 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.037 -0.528 . . . . 0.0 110.202 179.025 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 7.0 m-20 -70.41 -28.02 64.74 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.937 179.754 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 10.3 tp10 -80.42 -46.88 15.23 Favored 'General case' 0 CA--C 1.519 -0.238 0 N-CA-C 109.446 -0.576 . . . . 0.0 109.446 179.112 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.497 HG13 HD21 ' A' ' 9' ' ' LEU . 40.0 mt -62.87 -32.62 56.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-N 115.371 -0.831 . . . . 0.0 109.841 178.766 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 14.4 mttt -69.0 -48.16 63.75 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.236 -0.438 . . . . 0.0 109.854 179.335 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -69.22 -25.52 64.35 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.477 179.018 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -77.51 0.65 22.01 Favored 'General case' 0 CA--C 1.534 0.357 0 CA-C-N 116.219 -0.446 . . . . 0.0 112.051 179.739 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 31.1 t 61.97 33.82 17.12 Favored 'General case' 0 C--O 1.231 0.114 0 CA-C-O 121.107 0.479 . . . . 0.0 110.089 -179.352 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.809 ' O ' HG22 ' A' ' 41' ' ' ILE . 11.3 tp -123.38 24.51 8.66 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.665 -0.698 . . . . 0.0 110.913 -179.51 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . 0.438 ' HA2' HG12 ' A' ' 42' ' ' ILE . . . -61.12 -29.03 69.98 Favored Glycine 0 C--N 1.334 0.461 0 C-N-CA 120.321 -0.943 . . . . 0.0 111.905 179.811 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 3.5 t60 -59.03 -24.02 62.47 Favored 'General case' 0 C--N 1.329 -0.303 0 O-C-N 122.59 -0.359 . . . . 0.0 110.937 179.364 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.809 HG22 ' O ' ' A' ' 38' ' ' LEU . 6.4 tp -76.43 -29.66 18.9 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.388 0 CA-C-O 121.067 0.46 . . . . 0.0 110.907 -179.875 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.67 HD12 HG22 ' A' ' 44' ' ' VAL . 15.9 pt -95.27 170.25 1.29 Allowed 'Isoleucine or valine' 0 C--N 1.333 -0.148 0 CA-C-N 115.818 -0.628 . . . . 0.0 111.202 -179.798 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 3.4 t -104.04 73.22 1.13 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.864 -0.607 . . . . 0.0 109.543 178.893 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.67 HG22 HD12 ' A' ' 42' ' ' ILE . 1.5 t -79.29 167.6 2.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 115.793 -0.64 . . . . 0.0 110.944 -178.717 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . 0.477 ' H ' HG12 ' A' ' 44' ' ' VAL . 39.1 m -86.79 90.43 8.3 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.79 179.842 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.248 1.018 0 CA-C-O 118.247 -0.882 . . . . 0.0 110.925 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.804 ' HE2' HD21 ' A' ' 28' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.402 0 CA-C-O 120.824 0.345 . . . . 0.0 111.2 . . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 1.6 ttt-85 -81.9 -48.86 11.0 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.008 -179.861 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . 0.676 ' O ' HD23 ' A' ' 4' ' ' LEU . 0.0 OUTLIER -162.79 99.28 0.99 Allowed 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.911 -179.94 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.676 HD23 ' O ' ' A' ' 3' ' ' LYS . 3.6 mt -135.12 143.73 46.72 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.86 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.2 m -64.66 164.66 11.58 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.428 179.458 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -57.01 -24.93 57.29 Favored 'General case' 0 N--CA 1.466 0.354 0 C-N-CA 120.811 -0.356 . . . . 0.0 110.197 179.279 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 5.2 mt-10 -72.44 -39.16 68.04 Favored 'General case' 0 N--CA 1.454 -0.266 0 CA-C-O 120.957 0.408 . . . . 0.0 110.204 179.421 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -82.13 -32.53 30.07 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.53 179.336 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.489 HD21 HG13 ' A' ' 33' ' ' ILE . 16.7 tp -75.09 -43.25 54.09 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.739 179.707 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.774 HD11 HD21 ' A' ' 38' ' ' LEU . 72.2 mt -70.91 -36.99 66.36 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.415 179.839 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.2 -28.06 69.41 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 109.964 -0.384 . . . . 0.0 109.964 178.58 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 7.4 m -71.35 -46.62 60.06 Favored 'General case' 0 N--CA 1.455 -0.225 0 N-CA-C 109.532 -0.544 . . . . 0.0 109.532 179.17 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.814 ' O ' HG23 ' A' ' 17' ' ' THR . 79.0 t80 -65.17 -41.97 94.14 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.821 -0.627 . . . . 0.0 109.916 178.941 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.48 ' CE1' HG23 ' A' ' 10' ' ' ILE . 5.8 m-30 -67.45 -42.29 83.33 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.229 179.565 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.402 ' HB3' ' HE1' ' A' ' 19' ' ' MET . 1.7 mmpt? -66.26 -49.06 68.46 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.417 179.412 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.459 ' HA ' ' HE2' ' A' ' 19' ' ' MET . . . -59.83 -30.99 69.32 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.949 -0.569 . . . . 0.0 111.652 -179.721 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.814 HG23 ' O ' ' A' ' 13' ' ' TYR . 68.8 p -72.73 -32.45 65.7 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 109.728 -0.471 . . . . 0.0 109.728 179.208 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -76.23 -50.74 13.66 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.046 179.471 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . 0.616 ' CE ' HD12 ' A' ' 21' ' ' LEU . 0.4 OUTLIER -81.87 -10.1 59.4 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.062 -0.517 . . . . 0.0 112.321 -179.875 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 7.0 m-20 65.34 45.76 2.79 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.176 0.513 . . . . 0.0 110.601 -179.295 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.772 HD23 ' N ' ' A' ' 22' ' ' ASN . 2.3 tt -58.85 161.74 4.64 Favored 'General case' 0 C--N 1.332 -0.196 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.274 179.838 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . 0.772 ' N ' HD23 ' A' ' 21' ' ' LEU . 14.5 t30 -41.08 132.55 2.41 Favored 'General case' 0 N--CA 1.471 0.59 0 N-CA-C 112.181 0.438 . . . . 0.0 112.181 -179.809 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -51.94 -24.88 7.06 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 115.92 -0.582 . . . . 0.0 112.113 -179.319 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -72.59 -34.15 67.22 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.663 0.268 . . . . 0.0 111.25 -179.691 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . 0.76 ' HB3' HD22 ' A' ' 21' ' ' LEU . 2.5 t80 -76.07 -42.01 48.83 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 109.579 -0.526 . . . . 0.0 109.579 179.301 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 52.5 mt -61.67 -42.91 96.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 115.681 -0.69 . . . . 0.0 109.819 178.846 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 4.3 tt0 -74.97 -33.53 61.89 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.287 179.459 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.804 HD21 ' HE2' ' A' ' 1' ' ' MET . 1.1 tt -66.92 -46.8 73.7 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.714 -0.676 . . . . 0.0 110.183 179.612 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.726 HD11 ' CD2' ' A' ' 25' ' ' PHE . 6.0 mt -68.63 -32.58 55.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.01 179.252 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.406 ' HB2' ' CE1' ' A' ' 13' ' ' TYR . 1.8 tt0 -76.7 -32.87 58.14 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.366 179.234 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 39.1 m-20 -68.23 -30.25 69.26 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.98 -0.555 . . . . 0.0 111.018 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 1.7 tp10 -80.16 -46.8 15.75 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 109.391 -0.596 . . . . 0.0 109.391 179.018 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.623 HG23 ' HB3' ' A' ' 38' ' ' LEU . 58.7 mt -63.16 -31.96 54.59 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 CA-C-N 115.265 -0.879 . . . . 0.0 109.598 178.568 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 32.9 mmtt -70.9 -49.05 49.98 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.205 179.412 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 5.7 tmm_? -68.15 -22.85 64.83 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.609 178.913 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 10.7 mtt180 -83.9 7.05 19.42 Favored 'General case' 0 CA--C 1.533 0.306 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.967 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 5.2 t 60.23 32.61 20.88 Favored 'General case' 0 C--O 1.231 0.12 0 CA-C-O 121.027 0.441 . . . . 0.0 110.458 -179.626 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.779 ' O ' HG22 ' A' ' 41' ' ' ILE . 7.3 tp -123.34 23.52 9.01 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.91 -179.41 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -69.69 -8.55 60.55 Favored Glycine 0 C--N 1.337 0.613 0 C-N-CA 120.791 -0.718 . . . . 0.0 113.033 179.822 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 81.4 t60 -81.19 -32.89 33.36 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 109.354 -0.61 . . . . 0.0 109.354 178.68 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.779 HG22 ' O ' ' A' ' 38' ' ' LEU . 6.0 tp -59.16 -31.52 46.15 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.365 0 CA-C-N 115.675 -0.693 . . . . 0.0 109.984 178.809 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.837 HD12 HG21 ' A' ' 44' ' ' VAL . 15.3 pt -88.42 147.33 5.3 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.252 0 CA-C-N 115.169 -0.923 . . . . 0.0 111.2 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 7.6 t -72.59 66.39 0.71 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.204 0.526 . . . . 0.0 110.148 179.437 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.837 HG21 HD12 ' A' ' 42' ' ' ILE . 33.8 t -122.55 141.88 41.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 115.747 -0.66 . . . . 0.0 111.438 -179.045 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 6.1 t -116.93 89.25 3.07 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.421 179.317 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 6.9 m . . . . . 0 C--O 1.249 1.059 0 CA-C-O 118.193 -0.908 . . . . 0.0 110.9 -179.929 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.487 1.407 0 CA-C-O 120.842 0.353 . . . . 0.0 111.118 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 3.9 tpt180 -83.4 -51.15 7.64 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.347 -179.698 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . 0.589 ' O ' HD23 ' A' ' 4' ' ' LEU . 6.9 mmpt? -95.88 92.73 6.66 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.409 -0.359 . . . . 0.0 111.365 -179.541 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.589 HD23 ' O ' ' A' ' 3' ' ' LYS . 63.7 mt -153.36 157.8 40.55 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.776 179.723 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -93.64 161.22 14.44 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.131 179.33 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . 0.49 ' O ' HD12 ' A' ' 10' ' ' ILE . 0.1 OUTLIER -58.44 -27.47 64.37 Favored 'General case' 0 N--CA 1.466 0.366 0 CA-C-O 120.969 0.414 . . . . 0.0 109.948 179.421 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -76.5 -35.47 58.34 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.324 179.429 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -80.11 -36.79 34.86 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.738 179.488 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.439 HD21 HG13 ' A' ' 33' ' ' ILE . 35.0 tp -75.12 -45.83 38.48 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.768 -0.651 . . . . 0.0 111.013 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.75 HD11 ' CD2' ' A' ' 38' ' ' LEU . 59.8 mt -69.17 -33.8 60.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.646 -179.947 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -62.7 -28.77 70.17 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.107 178.666 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -73.02 -45.23 58.9 Favored 'General case' 0 C--N 1.331 -0.196 0 N-CA-C 109.716 -0.475 . . . . 0.0 109.716 179.427 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.762 ' O ' HG23 ' A' ' 17' ' ' THR . 71.9 t80 -66.17 -39.87 90.09 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.813 -0.63 . . . . 0.0 109.892 178.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.457 ' CE1' HG23 ' A' ' 10' ' ' ILE . 6.0 m-30 -70.5 -44.22 68.08 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.214 179.588 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 2.7 mmpt? -65.31 -48.16 74.06 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.343 179.249 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -60.14 -34.78 74.01 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.891 -0.595 . . . . 0.0 111.754 -179.719 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.762 HG23 ' O ' ' A' ' 13' ' ' TYR . 40.4 p -69.46 -32.59 71.61 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.851 0.358 . . . . 0.0 110.277 179.637 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -76.95 -46.74 23.04 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.37 179.929 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . 0.862 ' CE ' HD12 ' A' ' 21' ' ' LEU . 3.2 ptt? -83.77 -9.43 58.81 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 112.415 0.524 . . . . 0.0 112.415 -179.603 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 16.1 m-80 66.28 41.43 3.4 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.102 0.477 . . . . 0.0 110.348 -178.886 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.862 HD12 ' CE ' ' A' ' 19' ' ' MET . 2.8 tt -57.48 159.9 4.56 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.676 -0.693 . . . . 0.0 110.422 179.843 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . 0.8 ' N ' HD23 ' A' ' 21' ' ' LEU . 30.4 t30 -42.16 137.17 1.99 Allowed 'General case' 0 N--CA 1.471 0.582 0 N-CA-C 112.121 0.415 . . . . 0.0 112.121 -179.711 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -55.21 -29.76 58.58 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.786 -179.322 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -66.2 -35.16 79.73 Favored 'General case' 0 C--N 1.327 -0.412 0 C-N-CA 120.948 -0.301 . . . . 0.0 111.152 -179.692 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . 0.788 ' CB ' HD22 ' A' ' 21' ' ' LEU . 2.6 t80 -74.38 -44.66 51.17 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 109.48 -0.563 . . . . 0.0 109.48 179.241 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 53.1 mt -61.61 -43.33 96.85 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 115.547 -0.751 . . . . 0.0 110.17 179.001 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -73.32 -34.07 65.5 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.07 0.462 . . . . 0.0 110.255 179.578 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.566 HD23 ' N ' ' A' ' 29' ' ' ILE . 0.9 OUTLIER -67.41 -46.47 73.12 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.054 179.5 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.682 HD11 ' CD2' ' A' ' 25' ' ' PHE . 6.7 mt -68.86 -32.2 53.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.14 179.312 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -76.53 -32.95 58.56 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.152 179.249 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 49.6 m-20 -70.0 -28.09 65.23 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.889 -0.596 . . . . 0.0 111.005 179.808 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 8.3 tp10 -80.54 -46.73 15.31 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 109.411 -0.588 . . . . 0.0 109.411 179.219 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.686 HG23 ' HB3' ' A' ' 38' ' ' LEU . 44.1 mt -64.8 -32.81 59.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-N 115.286 -0.87 . . . . 0.0 109.704 178.604 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 14.9 mmtt -69.82 -44.97 68.88 Favored 'General case' 0 N--CA 1.455 -0.188 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.096 179.332 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 1.7 ttt-85 -70.94 -24.6 62.47 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.486 178.831 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 7.6 mtt180 -82.85 5.84 20.38 Favored 'General case' 0 CA--C 1.533 0.298 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.992 179.778 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 48.3 t 60.38 34.5 20.66 Favored 'General case' 0 C--O 1.232 0.158 0 CA-C-O 121.13 0.49 . . . . 0.0 110.331 -179.632 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.788 ' O ' HG22 ' A' ' 41' ' ' ILE . 8.9 tp -123.04 16.87 10.02 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.717 -0.674 . . . . 0.0 111.609 -179.288 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . 0.424 ' HA2' HG12 ' A' ' 42' ' ' ILE . . . -59.56 -25.62 61.13 Favored Glycine 0 C--N 1.336 0.54 0 C-N-CA 120.219 -0.991 . . . . 0.0 112.015 179.709 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 10.8 t60 -61.19 -26.54 67.79 Favored 'General case' 0 C--N 1.33 -0.256 0 O-C-N 122.543 -0.386 . . . . 0.0 110.533 179.065 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.788 HG22 ' O ' ' A' ' 38' ' ' LEU . 6.1 tp -72.18 -31.01 37.9 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.377 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.858 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.459 ' CD1' HG22 ' A' ' 44' ' ' VAL . 18.2 pt -94.9 157.49 3.05 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.188 0 CA-C-N 115.7 -0.682 . . . . 0.0 111.249 -179.767 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 38.4 t -92.3 75.0 5.33 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 109.589 -0.523 . . . . 0.0 109.589 178.7 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.459 HG22 ' CD1' ' A' ' 42' ' ' ILE . 1.5 t -75.79 129.25 37.19 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.833 -178.76 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 73.5 p -73.46 90.58 1.72 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.924 0.392 . . . . 0.0 110.782 179.893 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 89.8 p . . . . . 0 C--O 1.248 1.01 0 CA-C-O 118.244 -0.884 . . . . 0.0 110.878 -179.941 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.594 ' HE3' HD21 ' A' ' 28' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.361 0 CA-C-O 120.904 0.383 . . . . 0.0 111.228 . . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -83.24 -23.47 32.74 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.558 -179.876 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 15.1 tttt -52.16 -26.24 10.97 Favored 'General case' 0 N--CA 1.464 0.227 0 N-CA-C 111.778 0.288 . . . . 0.0 111.778 -179.601 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 5.9 mt -86.0 146.88 26.47 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.916 0.389 . . . . 0.0 110.911 -179.871 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 74.6 m -63.93 164.96 9.45 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.63 179.573 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . 0.482 ' O ' HD12 ' A' ' 10' ' ' ILE . 0.5 OUTLIER -57.91 -25.27 60.63 Favored 'General case' 0 N--CA 1.465 0.31 0 CA-C-O 120.881 0.372 . . . . 0.0 110.058 179.347 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -73.19 -40.83 64.46 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-O 121.139 0.495 . . . . 0.0 109.99 179.251 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -78.61 -32.95 47.71 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.584 -0.735 . . . . 0.0 110.337 179.216 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 16.8 tp -75.12 -47.44 28.59 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.502 179.639 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.756 HD11 ' CD2' ' A' ' 38' ' ' LEU . 49.8 mt -67.56 -40.48 84.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.412 179.827 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 27.9 mt-10 -58.9 -30.11 67.56 Favored 'General case' 0 C--O 1.22 -0.5 0 N-CA-C 109.952 -0.388 . . . . 0.0 109.952 178.519 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -67.7 -46.13 73.12 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.182 -0.463 . . . . 0.0 109.769 179.169 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.835 ' O ' HG23 ' A' ' 17' ' ' THR . 72.9 t80 -64.07 -41.05 97.48 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.151 179.069 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.457 ' CZ ' ' CG2' ' A' ' 10' ' ' ILE . 7.3 m-30 -70.03 -49.02 55.5 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.393 -0.822 . . . . 0.0 111.053 -179.894 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.419 ' HD2' ' N ' ' A' ' 15' ' ' LYS . 0.0 OUTLIER -59.92 -45.25 93.19 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.471 179.84 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.492 ' HB1' ' HB3' ' A' ' 21' ' ' LEU . . . -61.65 -37.47 84.17 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.921 -0.582 . . . . 0.0 112.117 -179.413 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.835 HG23 ' O ' ' A' ' 13' ' ' TYR . 78.1 p -67.59 -32.17 72.72 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.885 0.374 . . . . 0.0 110.596 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -77.64 -46.42 22.08 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.501 -179.868 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . 0.826 ' CE ' HD12 ' A' ' 21' ' ' LEU . 4.0 ptp -81.05 -15.28 56.5 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.969 -179.711 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 10.4 m-80 75.36 36.79 0.48 Allowed 'General case' 0 N--CA 1.464 0.231 0 CA-C-O 121.11 0.481 . . . . 0.0 110.122 -179.109 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.826 HD12 ' CE ' ' A' ' 19' ' ' MET . 3.0 tt -56.83 158.43 4.76 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.686 -0.688 . . . . 0.0 110.431 179.944 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . 0.809 ' N ' HD23 ' A' ' 21' ' ' LEU . 35.0 t30 -42.54 134.8 2.98 Favored 'General case' 0 N--CA 1.471 0.579 0 N-CA-C 112.078 0.399 . . . . 0.0 112.078 -179.57 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -56.28 -27.97 57.15 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.771 -179.396 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 1.7 t0 -65.48 -36.99 85.53 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.817 0.341 . . . . 0.0 110.693 -179.842 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . 0.739 ' CD2' HD11 ' A' ' 29' ' ' ILE . 3.3 t80 -74.23 -42.7 59.29 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 109.209 -0.663 . . . . 0.0 109.209 178.918 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 72.1 mt -60.95 -45.47 98.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 115.341 -0.845 . . . . 0.0 110.098 178.834 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -73.53 -33.27 64.65 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.437 179.75 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.594 HD21 ' HE3' ' A' ' 1' ' ' MET . 0.9 OUTLIER -67.07 -46.84 73.09 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.088 179.468 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.739 HD11 ' CD2' ' A' ' 25' ' ' PHE . 8.5 mt -68.87 -32.76 55.99 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.149 179.251 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -76.66 -32.13 57.75 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.277 179.296 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 6.8 m-20 -70.3 -28.69 65.38 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.046 -0.524 . . . . 0.0 111.06 179.808 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 16.5 tp10 -80.39 -45.74 17.19 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.271 0.558 . . . . 0.0 109.561 179.202 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.723 HG23 ' HB3' ' A' ' 38' ' ' LEU . 46.4 mt -64.03 -32.02 55.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-N 115.317 -0.856 . . . . 0.0 109.802 178.707 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 59.9 mttt -70.73 -47.32 60.35 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.135 179.305 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 10.4 ttt85 -70.67 -23.79 62.57 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.589 179.068 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 5.7 mtt180 -83.02 5.86 20.76 Favored 'General case' 0 CA--C 1.534 0.352 0 CA-C-N 116.341 -0.391 . . . . 0.0 112.05 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 8.6 t 60.91 34.38 19.55 Favored 'General case' 0 C--O 1.232 0.141 0 CA-C-O 121.039 0.447 . . . . 0.0 110.466 -179.796 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.756 ' CD2' HD11 ' A' ' 10' ' ' ILE . 9.0 tp -122.6 26.92 8.07 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.676 -0.693 . . . . 0.0 110.478 -179.656 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -70.61 -7.88 62.1 Favored Glycine 0 C--N 1.336 0.566 0 C-N-CA 121.082 -0.58 . . . . 0.0 113.146 179.889 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 39.4 p-80 -83.34 -31.53 26.75 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 117.281 0.541 . . . . 0.0 109.553 178.823 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.755 HG12 HD13 ' A' ' 10' ' ' ILE . 6.2 tp -61.33 -33.49 56.85 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.296 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.046 179.161 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.832 HD12 HG21 ' A' ' 44' ' ' VAL . 13.7 pt -81.79 161.52 3.64 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.186 0 CA-C-N 115.107 -0.951 . . . . 0.0 110.926 179.95 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 42.9 t -80.33 60.64 3.84 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.172 0.511 . . . . 0.0 110.154 179.337 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.832 HG21 HD12 ' A' ' 42' ' ' ILE . 32.4 t -122.87 160.26 25.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 115.72 -0.673 . . . . 0.0 111.181 -179.041 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . 0.473 ' N ' HG12 ' A' ' 44' ' ' VAL . 72.0 p -103.29 89.43 3.4 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.982 0.42 . . . . 0.0 110.444 179.398 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 16.2 m . . . . . 0 C--O 1.248 0.988 0 CA-C-O 118.261 -0.876 . . . . 0.0 110.947 179.921 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.467 ' H2 ' HD11 ' A' ' 4' ' ' LEU . 4.8 mmt . . . . . 0 N--CA 1.488 1.472 0 CA-C-O 120.74 0.305 . . . . 0.0 111.287 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 61.5 mtt180 -83.11 -51.28 7.66 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.297 -179.721 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . 0.78 ' C ' HD13 ' A' ' 4' ' ' LEU . 31.4 mttt -151.88 101.61 2.76 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.374 -0.375 . . . . 0.0 111.067 -179.726 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.78 HD13 ' C ' ' A' ' 3' ' ' LYS . 0.0 OUTLIER -128.95 141.58 51.22 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.565 179.951 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.8 m -63.46 161.06 15.03 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.328 179.438 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . 0.592 ' OD2' HD13 ' A' ' 38' ' ' LEU . 1.0 OUTLIER -55.19 -28.93 56.5 Favored 'General case' 0 N--CA 1.464 0.274 0 CA-C-O 121.014 0.435 . . . . 0.0 110.01 179.396 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -68.51 -38.94 81.35 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.499 179.582 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -80.54 -36.95 32.38 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.24 179.776 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 20.3 tp -75.47 -36.93 60.56 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.426 -179.657 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.705 HD11 HD21 ' A' ' 38' ' ' LEU . 73.0 mt -74.34 -40.07 49.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-O 120.682 0.277 . . . . 0.0 110.809 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -61.88 -27.99 69.18 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 110.082 -0.34 . . . . 0.0 110.082 178.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -74.54 -44.97 48.58 Favored 'General case' 0 N--CA 1.456 -0.153 0 CA-C-O 121.008 0.432 . . . . 0.0 109.954 179.429 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.589 ' CD2' HG22 ' A' ' 42' ' ' ILE . 64.0 t80 -66.88 -36.74 82.98 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.774 -0.648 . . . . 0.0 109.904 179.043 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.457 ' CZ ' HG23 ' A' ' 10' ' ' ILE . 7.6 m-30 -75.42 -41.17 56.65 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.522 -0.763 . . . . 0.0 110.703 179.892 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -67.02 -47.8 70.32 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.69 179.473 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.572 ' HB1' ' HB3' ' A' ' 21' ' ' LEU . . . -65.34 -35.85 82.24 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.989 -0.551 . . . . 0.0 111.619 -179.549 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.58 HG23 ' O ' ' A' ' 13' ' ' TYR . 11.6 p -67.39 -32.4 73.27 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.977 0.417 . . . . 0.0 110.544 179.88 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -74.68 -46.29 38.9 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.416 -179.759 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . 0.785 ' CE ' HD12 ' A' ' 21' ' ' LEU . 3.9 ptt? -82.73 -14.13 55.1 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.124 -0.489 . . . . 0.0 112.178 -179.387 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 11.0 m-80 74.41 38.01 0.54 Allowed 'General case' 0 N--CA 1.464 0.228 0 CA-C-O 121.164 0.506 . . . . 0.0 109.912 -178.895 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.808 HD23 ' N ' ' A' ' 22' ' ' ASN . 2.7 tt -53.73 159.66 1.56 Allowed 'General case' 0 CA--C 1.531 0.219 0 CA-C-N 115.566 -0.743 . . . . 0.0 110.738 -179.928 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . 0.808 ' N ' HD23 ' A' ' 21' ' ' LEU . 30.4 t-20 -40.64 137.38 1.16 Allowed 'General case' 0 N--CA 1.472 0.636 0 N-CA-C 112.388 0.514 . . . . 0.0 112.388 -179.744 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 3.7 tpt180 -56.58 -32.06 64.84 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.959 -0.564 . . . . 0.0 111.684 -179.376 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -65.97 -35.52 80.8 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.726 0.298 . . . . 0.0 111.14 -179.603 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . 0.761 ' HB3' HD22 ' A' ' 21' ' ' LEU . 5.9 t80 -73.93 -45.49 50.14 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 179.146 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 47.2 mt -60.94 -46.06 97.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 115.44 -0.8 . . . . 0.0 110.031 178.838 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -68.67 -32.95 73.15 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.014 0.435 . . . . 0.0 110.166 179.302 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.592 HD23 ' N ' ' A' ' 29' ' ' ILE . 0.4 OUTLIER -68.03 -46.09 72.17 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.08 179.424 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.731 HD11 ' CD2' ' A' ' 25' ' ' PHE . 7.2 mt -69.91 -32.31 51.23 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.369 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.039 179.103 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 12.6 tt0 -76.88 -32.58 57.56 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.455 179.29 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 14.3 m-20 -69.37 -31.9 70.59 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.053 -179.83 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -79.28 -45.81 18.99 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 109.325 -0.62 . . . . 0.0 109.325 179.199 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.61 HG23 HD23 ' A' ' 38' ' ' LEU . 86.0 mt -62.06 -31.94 52.89 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 115.43 -0.804 . . . . 0.0 109.736 178.549 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 21.1 mttt -71.54 -49.33 41.85 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.512 179.617 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -70.51 -24.14 62.78 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.794 179.313 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 5.0 mtt-85 -82.98 6.23 19.42 Favored 'General case' 0 CA--C 1.533 0.306 0 N-CA-C 112.154 0.427 . . . . 0.0 112.154 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 3.4 t 61.71 31.91 18.46 Favored 'General case' 0 C--O 1.232 0.148 0 CA-C-O 121.072 0.463 . . . . 0.0 110.23 -179.56 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.705 HD21 HD11 ' A' ' 10' ' ' ILE . 5.3 tp -117.95 21.27 12.93 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.603 -0.726 . . . . 0.0 110.78 -179.862 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -73.39 -4.73 65.29 Favored Glycine 0 C--N 1.337 0.628 0 C-N-CA 120.88 -0.676 . . . . 0.0 113.183 179.905 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 74.6 t60 -88.55 -31.4 18.68 Favored 'General case' 0 N--CA 1.455 -0.196 0 CA-C-N 117.292 0.546 . . . . 0.0 110.401 179.599 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.548 HG12 HD13 ' A' ' 10' ' ' ILE . 5.2 tp -62.08 -38.51 81.04 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.289 0 CA-C-O 121.596 0.712 . . . . 0.0 109.368 179.517 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.908 HD12 HG21 ' A' ' 44' ' ' VAL . 13.0 pt -70.35 162.52 4.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 114.647 -1.16 . . . . 0.0 110.947 179.733 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 7.4 t -82.78 60.18 5.18 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.206 0.527 . . . . 0.0 109.986 179.24 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.908 HG21 HD12 ' A' ' 42' ' ' ILE . 29.1 t -122.54 148.05 26.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 115.656 -0.702 . . . . 0.0 111.22 -179.08 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 89.4 p -108.71 89.5 3.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.619 179.455 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 2.7 m . . . . . 0 C--O 1.25 1.085 0 CA-C-O 118.252 -0.88 . . . . 0.0 110.88 179.956 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.578 ' H1 ' HD11 ' A' ' 4' ' ' LEU . 25.4 mmt . . . . . 0 N--CA 1.487 1.38 0 CA-C-O 120.818 0.342 . . . . 0.0 111.154 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 24.0 ttm-85 -69.37 -51.21 38.91 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.955 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . 0.527 ' O ' HD23 ' A' ' 4' ' ' LEU . 0.0 OUTLIER -164.97 106.35 0.81 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.865 179.956 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.578 HD11 ' H1 ' ' A' ' 1' ' ' MET . 3.6 mt -130.62 143.41 50.73 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.661 -179.769 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 9.1 m -60.6 160.03 9.73 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.481 179.535 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -56.08 -27.0 51.85 Favored 'General case' 0 N--CA 1.465 0.291 0 CA-C-O 120.934 0.397 . . . . 0.0 110.278 179.505 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -72.87 -36.26 67.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.247 179.473 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -80.68 -36.31 32.53 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.844 179.489 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.451 HD21 HG13 ' A' ' 33' ' ' ILE . 26.7 tp -75.14 -44.08 48.96 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.889 179.927 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.682 HD13 HG12 ' A' ' 41' ' ' ILE . 66.2 mt -70.59 -34.39 57.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.486 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 29.6 mt-10 -62.63 -28.67 70.07 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.082 178.827 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 2.0 m -72.87 -46.45 52.8 Favored 'General case' 0 C--N 1.331 -0.215 0 N-CA-C 109.692 -0.485 . . . . 0.0 109.692 179.302 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.685 ' O ' HG23 ' A' ' 17' ' ' THR . 63.2 t80 -64.58 -39.51 93.88 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.935 -0.575 . . . . 0.0 109.895 178.842 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.467 ' CE1' HG23 ' A' ' 10' ' ' ILE . 5.7 m-30 -70.43 -45.42 65.87 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.246 179.6 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 2.1 mmpt? -65.51 -47.6 75.44 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.448 179.463 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.551 ' HB1' ' HB3' ' A' ' 21' ' ' LEU . . . -61.88 -34.87 76.8 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.82 -0.627 . . . . 0.0 111.654 -179.637 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.685 HG23 ' O ' ' A' ' 13' ' ' TYR . 20.7 p -69.16 -32.59 72.03 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.873 0.368 . . . . 0.0 110.378 179.705 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 -75.5 -45.86 35.81 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.059 -0.518 . . . . 0.0 111.476 -179.874 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . 0.768 ' CE ' HD12 ' A' ' 21' ' ' LEU . 3.5 ptt? -82.93 -14.73 53.6 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.036 -0.529 . . . . 0.0 112.127 -179.476 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 9.8 m120 74.46 39.45 0.46 Allowed 'General case' 0 N--CA 1.462 0.17 0 CA-C-O 121.249 0.547 . . . . 0.0 110.119 -178.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.819 HD23 ' N ' ' A' ' 22' ' ' ASN . 3.1 tt -55.82 158.44 3.68 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 115.537 -0.756 . . . . 0.0 110.505 -179.919 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . 0.819 ' N ' HD23 ' A' ' 21' ' ' LEU . 42.0 t-20 -41.7 132.99 2.83 Favored 'General case' 0 N--CA 1.471 0.591 0 N-CA-C 112.137 0.421 . . . . 0.0 112.137 -179.752 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 18.5 tpt180 -53.19 -29.46 32.08 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.973 -0.558 . . . . 0.0 111.974 -179.249 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -67.11 -36.09 81.16 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.77 0.319 . . . . 0.0 111.047 -179.787 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . 0.819 ' CD2' HD11 ' A' ' 29' ' ' ILE . 7.7 t80 -74.26 -43.42 57.0 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 109.237 -0.653 . . . . 0.0 109.237 179.111 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 56.7 mt -61.9 -47.32 93.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 115.464 -0.789 . . . . 0.0 109.896 178.872 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -68.82 -31.18 69.98 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.979 0.419 . . . . 0.0 110.352 179.407 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.591 HD23 ' N ' ' A' ' 29' ' ' ILE . 0.5 OUTLIER -68.74 -46.85 67.78 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.009 179.538 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.819 HD11 ' CD2' ' A' ' 25' ' ' PHE . 9.0 mt -70.17 -31.93 49.12 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-O 120.972 0.415 . . . . 0.0 110.019 179.148 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.576 ' HG3' HD12 ' A' ' 42' ' ' ILE . 11.1 tt0 -76.75 -33.28 58.12 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.183 179.156 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 17.1 m-20 -69.09 -29.88 68.06 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.982 179.884 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 8.1 tp10 -80.17 -45.37 18.22 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.249 0.547 . . . . 0.0 109.541 179.204 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.557 HG23 ' HB3' ' A' ' 38' ' ' LEU . 73.5 mt -64.42 -33.48 63.14 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-N 115.385 -0.825 . . . . 0.0 109.62 178.71 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 11.1 mttt -68.19 -47.27 68.39 Favored 'General case' 0 N--CA 1.454 -0.227 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.017 179.388 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 25.8 ttt180 -70.54 -25.51 63.14 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.708 179.291 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 28.8 mtt180 -79.41 1.91 23.67 Favored 'General case' 0 CA--C 1.534 0.339 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.89 179.677 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 8.5 t 61.39 34.28 18.37 Favored 'General case' 0 C--O 1.231 0.128 0 CA-C-O 121.023 0.44 . . . . 0.0 110.034 -179.315 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.799 ' O ' HG22 ' A' ' 41' ' ' ILE . 9.5 tp -123.17 18.12 9.94 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.631 -0.713 . . . . 0.0 111.201 -179.501 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . 0.454 ' O ' HG23 ' A' ' 44' ' ' VAL . . . -59.31 -28.8 64.99 Favored Glycine 0 C--N 1.335 0.526 0 C-N-CA 120.526 -0.845 . . . . 0.0 111.903 179.35 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 20.3 p-80 -58.9 -27.75 65.53 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.875 0.369 . . . . 0.0 110.441 179.175 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.799 HG22 ' O ' ' A' ' 38' ' ' LEU . 6.1 tp -71.56 -32.39 45.73 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.281 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.231 179.618 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.632 ' CG1' HG22 ' A' ' 44' ' ' VAL . 14.7 pt -97.31 -174.92 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.16 0 CA-C-N 115.702 -0.681 . . . . 0.0 111.306 -179.648 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 5.8 t -101.04 79.93 2.07 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 108.721 -0.844 . . . . 0.0 108.721 178.088 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.632 HG22 ' CG1' ' A' ' 42' ' ' ILE . 1.7 t -89.2 112.9 24.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.919 -178.539 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 11.4 t -94.03 89.93 6.23 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.569 179.701 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.249 1.057 0 CA-C-O 118.181 -0.914 . . . . 0.0 110.922 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.485 1.317 0 CA-C-O 120.773 0.321 . . . . 0.0 111.084 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 3.1 tpt180 -67.66 -51.07 54.2 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.952 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . 0.418 ' O ' HD23 ' A' ' 4' ' ' LEU . 3.4 pttm -171.85 99.65 0.18 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.898 179.859 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.418 HD23 ' O ' ' A' ' 3' ' ' LYS . 3.6 mt -125.47 143.9 50.78 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.628 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.2 m -60.54 160.36 9.11 Favored 'General case' 0 CA--C 1.519 -0.24 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.366 179.438 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . 0.725 ' HB3' HD21 ' A' ' 38' ' ' LEU . 3.0 m-20 -53.32 -28.59 29.28 Favored 'General case' 0 N--CA 1.465 0.284 0 CA-C-O 121.012 0.434 . . . . 0.0 110.205 179.61 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -67.0 -38.16 85.49 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.384 179.426 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -82.16 -36.77 27.05 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.974 -0.557 . . . . 0.0 111.178 179.515 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 17.0 tp -75.25 -37.2 61.1 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.381 -179.761 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.636 HD13 HG12 ' A' ' 41' ' ' ILE . 62.4 mt -74.91 -40.25 45.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.462 179.911 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -61.31 -28.33 69.12 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.127 178.907 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 1.7 t -74.22 -44.26 53.86 Favored 'General case' 0 CA--C 1.52 -0.174 0 N-CA-C 109.773 -0.455 . . . . 0.0 109.773 179.249 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.797 ' O ' HG23 ' A' ' 17' ' ' THR . 80.9 t80 -67.74 -39.22 84.26 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.711 -0.677 . . . . 0.0 109.815 179.057 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.458 ' CZ ' ' CG2' ' A' ' 10' ' ' ILE . 10.1 m-30 -72.81 -40.5 65.77 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.531 -0.759 . . . . 0.0 110.595 179.819 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 3.0 mmpt? -66.36 -48.52 69.94 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.407 179.264 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.42 ' HB1' ' HB3' ' A' ' 21' ' ' LEU . . . -59.07 -35.7 73.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.825 -0.625 . . . . 0.0 111.632 -179.647 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.797 HG23 ' O ' ' A' ' 13' ' ' TYR . 68.4 p -70.02 -32.47 70.64 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.882 0.373 . . . . 0.0 110.351 179.661 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -77.41 -44.76 28.06 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.408 -179.802 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . 0.829 ' CE ' HD12 ' A' ' 21' ' ' LEU . 4.0 ptp -83.92 -15.5 47.73 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 112.217 0.451 . . . . 0.0 112.217 -179.356 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 17.4 m-20 74.84 37.69 0.5 Allowed 'General case' 0 N--CA 1.463 0.186 0 CA-C-O 121.135 0.493 . . . . 0.0 110.092 -178.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.829 HD12 ' CE ' ' A' ' 19' ' ' MET . 3.0 tt -56.37 158.64 4.12 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 115.556 -0.747 . . . . 0.0 110.652 -179.893 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . 0.802 ' N ' HD23 ' A' ' 21' ' ' LEU . 37.8 t-20 -43.22 136.69 2.86 Favored 'General case' 0 N--CA 1.469 0.501 0 N-CA-C 112.105 0.409 . . . . 0.0 112.105 -179.681 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 10.7 tpt180 -56.72 -31.11 64.18 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.953 -0.567 . . . . 0.0 111.57 -179.462 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 52.4 m-20 -64.46 -35.12 79.89 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 120.77 0.319 . . . . 0.0 110.964 -179.62 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . 0.894 ' CD2' HD11 ' A' ' 29' ' ' ILE . 6.4 t80 -74.54 -43.73 54.45 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 109.291 -0.633 . . . . 0.0 109.291 179.04 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 53.8 mt -60.37 -46.27 95.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 115.559 -0.746 . . . . 0.0 110.117 178.893 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -68.27 -33.33 74.16 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.136 0.493 . . . . 0.0 110.235 179.375 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.591 HD23 ' N ' ' A' ' 29' ' ' ILE . 0.5 OUTLIER -68.51 -46.12 70.45 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.689 -0.687 . . . . 0.0 110.175 179.615 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.894 HD11 ' CD2' ' A' ' 25' ' ' PHE . 8.4 mt -69.65 -32.7 53.46 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.313 -0.403 . . . . 0.0 109.96 179.183 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 9.1 tt0 -77.16 -32.25 56.13 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.557 179.405 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -70.1 -30.08 67.2 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.14 -179.905 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 3.6 tp10 -80.36 -45.05 18.42 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 109.627 -0.508 . . . . 0.0 109.627 179.273 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.705 HG23 ' HB3' ' A' ' 38' ' ' LEU . 64.3 mt -63.23 -31.84 54.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-N 115.482 -0.781 . . . . 0.0 109.755 178.727 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 24.9 mttt -71.32 -49.17 45.32 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.66 179.707 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -70.61 -23.55 62.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.822 179.291 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 13.1 mtt180 -82.82 5.56 21.18 Favored 'General case' 0 CA--C 1.533 0.311 0 N-CA-C 112.16 0.43 . . . . 0.0 112.16 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 4.5 t 61.51 33.88 18.26 Favored 'General case' 0 C--O 1.231 0.094 0 CA-C-O 121.133 0.492 . . . . 0.0 110.185 -179.502 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.725 HD21 ' HB3' ' A' ' 6' ' ' ASP . 12.8 tp -117.64 3.85 12.36 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.443 -0.798 . . . . 0.0 111.599 -179.622 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . 0.456 ' HA2' HG12 ' A' ' 42' ' ' ILE . . . -56.65 -24.36 47.45 Favored Glycine 0 C--N 1.34 0.806 0 C-N-CA 120.485 -0.864 . . . . 0.0 112.372 179.88 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 18.0 t60 -62.8 -17.41 61.16 Favored 'General case' 0 C--N 1.329 -0.304 0 O-C-N 122.628 -0.336 . . . . 0.0 111.28 179.393 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.636 HG12 HD13 ' A' ' 10' ' ' ILE . 5.8 tp -84.87 -37.48 12.46 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.305 0 CA-C-O 121.236 0.541 . . . . 0.0 110.716 -179.444 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.773 HD12 HG22 ' A' ' 44' ' ' VAL . 12.3 pt -82.13 158.1 3.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 115.449 -0.796 . . . . 0.0 111.436 -179.705 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 4.9 t -91.75 72.83 5.79 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.962 -0.563 . . . . 0.0 109.622 178.851 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.773 HG22 HD12 ' A' ' 42' ' ' ILE . 1.6 t -77.03 140.0 17.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.907 -178.763 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 1.4 m -79.78 90.54 5.25 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.874 179.882 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 16.9 t . . . . . 0 C--O 1.249 1.033 0 CA-C-O 118.288 -0.863 . . . . 0.0 110.817 -179.942 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.746 ' HE2' HD21 ' A' ' 28' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.373 0 CA-C-O 120.786 0.327 . . . . 0.0 111.251 . . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 15.4 mtt-85 -82.99 -51.06 7.91 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.982 -179.925 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . 0.81 ' O ' HD23 ' A' ' 4' ' ' LEU . 3.4 mmtp -147.16 116.91 7.13 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.027 -179.892 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.81 HD23 ' O ' ' A' ' 3' ' ' LYS . 1.1 mt -148.61 141.5 24.72 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.687 179.942 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 20.2 m -63.87 161.85 14.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.364 179.469 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . 0.493 ' O ' HD12 ' A' ' 10' ' ' ILE . 0.2 OUTLIER -59.0 -26.02 64.15 Favored 'General case' 0 N--CA 1.466 0.357 0 N-CA-C 110.003 -0.369 . . . . 0.0 110.003 179.461 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -75.37 -35.93 61.01 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.319 179.517 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -80.1 -36.2 35.75 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.762 179.529 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.455 HD21 HG13 ' A' ' 33' ' ' ILE . 27.3 tp -74.98 -45.37 42.55 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.903 -0.589 . . . . 0.0 110.87 179.902 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.769 HD11 HD21 ' A' ' 38' ' ' LEU . 60.2 mt -69.27 -35.82 69.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.598 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 24.5 mt-10 -62.2 -28.86 69.97 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 109.992 -0.373 . . . . 0.0 109.992 178.53 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 2.0 m -70.66 -45.28 65.41 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 121.122 0.487 . . . . 0.0 109.806 179.245 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.796 ' O ' HG23 ' A' ' 17' ' ' THR . 78.4 t80 -65.33 -40.6 93.9 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.743 -0.662 . . . . 0.0 109.953 179.083 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.456 ' CZ ' ' CG2' ' A' ' 10' ' ' ILE . 10.2 m-30 -69.66 -45.86 67.44 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.584 -0.734 . . . . 0.0 110.64 179.751 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -63.76 -45.48 89.61 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.583 179.518 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.421 ' HB1' ' HB3' ' A' ' 21' ' ' LEU . . . -62.19 -35.75 79.8 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.769 -179.612 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.796 HG23 ' O ' ' A' ' 13' ' ' TYR . 59.9 p -68.79 -32.34 71.99 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 120.915 0.388 . . . . 0.0 110.509 179.796 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -77.2 -45.07 27.84 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.551 -179.774 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . 0.843 ' CE ' HD12 ' A' ' 21' ' ' LEU . 3.9 ptt? -83.45 -15.78 48.27 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 112.144 0.424 . . . . 0.0 112.144 -179.42 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 11.9 m-80 75.04 37.22 0.49 Allowed 'General case' 0 N--CA 1.463 0.207 0 CA-C-O 121.117 0.484 . . . . 0.0 109.939 -178.938 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.843 HD12 ' CE ' ' A' ' 19' ' ' MET . 2.7 tt -55.05 160.13 2.17 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.57 -0.741 . . . . 0.0 110.718 -179.927 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . 0.792 ' N ' HD23 ' A' ' 21' ' ' LEU . 30.8 t-20 -42.52 134.22 3.13 Favored 'General case' 0 N--CA 1.47 0.558 0 CA-C-O 120.982 0.42 . . . . 0.0 112.079 -179.661 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 3.8 tpt180 -54.98 -27.04 40.9 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.964 -0.562 . . . . 0.0 111.893 -179.355 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -68.14 -35.73 78.54 Favored 'General case' 0 C--N 1.327 -0.395 0 C-N-CA 121.005 -0.278 . . . . 0.0 111.02 -179.717 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . 0.763 ' CD2' HD11 ' A' ' 29' ' ' ILE . 3.3 t80 -75.23 -42.78 54.55 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 109.416 -0.587 . . . . 0.0 109.416 179.225 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 56.2 mt -60.92 -43.01 94.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 115.577 -0.738 . . . . 0.0 109.985 178.858 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -74.99 -32.99 61.8 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.349 179.573 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.746 HD21 ' HE2' ' A' ' 1' ' ' MET . 0.8 OUTLIER -67.87 -46.16 72.48 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.76 -0.655 . . . . 0.0 110.223 179.696 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.763 HD11 ' CD2' ' A' ' 25' ' ' PHE . 8.7 mt -69.35 -32.44 53.4 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.197 179.302 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.407 ' HB2' ' CE1' ' A' ' 13' ' ' TYR . 1.1 tt0 -76.63 -32.43 58.02 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.96 -0.563 . . . . 0.0 110.207 179.231 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 51.6 m-20 -70.55 -28.44 64.91 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.928 -0.578 . . . . 0.0 111.057 179.857 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 6.8 tt0 -80.5 -46.82 15.22 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 109.436 -0.579 . . . . 0.0 109.436 179.157 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.686 HG23 ' HB3' ' A' ' 38' ' ' LEU . 50.9 mt -64.04 -31.96 55.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-N 115.35 -0.841 . . . . 0.0 109.692 178.641 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 19.8 mmtt -70.57 -47.44 60.23 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.216 179.275 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -69.67 -23.46 63.46 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.573 178.919 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 6.7 mtp180 -83.37 6.17 20.88 Favored 'General case' 0 CA--C 1.533 0.304 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.948 179.827 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 3.3 t 60.91 34.15 19.63 Favored 'General case' 0 C--O 1.23 0.077 0 CA-C-O 121.075 0.464 . . . . 0.0 110.368 -179.661 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.774 ' O ' HG22 ' A' ' 41' ' ' ILE . 9.0 tp -123.2 15.19 9.8 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.658 -0.701 . . . . 0.0 111.664 -179.383 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . 0.438 ' HA2' HG12 ' A' ' 42' ' ' ILE . . . -58.83 -25.93 59.77 Favored Glycine 0 C--N 1.338 0.648 0 C-N-CA 120.183 -1.008 . . . . 0.0 111.96 179.551 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 9.9 p-80 -60.76 -24.48 65.78 Favored 'General case' 0 C--N 1.328 -0.338 0 O-C-N 122.585 -0.362 . . . . 0.0 110.526 178.916 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.774 HG22 ' O ' ' A' ' 38' ' ' LEU . 6.2 tp -74.51 -31.66 28.19 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.364 0 CA-C-O 121.059 0.457 . . . . 0.0 110.863 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.464 ' CD1' HG22 ' A' ' 44' ' ' VAL . 15.5 pt -93.15 154.06 3.27 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 CA-C-N 115.725 -0.67 . . . . 0.0 111.309 -179.879 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 29.0 t -88.39 74.86 8.55 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.026 -0.534 . . . . 0.0 109.627 178.775 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.464 HG22 ' CD1' ' A' ' 42' ' ' ILE . 1.6 t -75.86 156.86 5.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 115.791 -0.641 . . . . 0.0 110.949 -178.709 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 1.3 m -116.99 91.52 3.6 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.836 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.249 1.039 0 CA-C-O 118.209 -0.901 . . . . 0.0 110.834 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.689 ' N ' HD11 ' A' ' 4' ' ' LEU . 5.7 tpp . . . . . 0 N--CA 1.486 1.355 0 CA-C-O 120.749 0.309 . . . . 0.0 111.053 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 4.7 ttp180 -83.66 -51.17 7.5 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.859 -179.559 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . 0.762 ' O ' HD23 ' A' ' 4' ' ' LEU . 6.7 mttt -105.61 89.35 3.07 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.765 0.317 . . . . 0.0 111.621 -179.235 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.762 HD23 ' O ' ' A' ' 3' ' ' LYS . 0.9 OUTLIER -151.12 141.4 22.33 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.832 179.346 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.554 ' OG ' HD23 ' A' ' 8' ' ' LEU . 2.7 p -85.48 161.57 19.32 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.107 -0.497 . . . . 0.0 109.91 179.269 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . 0.512 ' O ' HD12 ' A' ' 10' ' ' ILE . 0.5 OUTLIER -58.77 -26.18 63.78 Favored 'General case' 0 N--CA 1.466 0.354 0 C-N-CA 120.711 -0.395 . . . . 0.0 110.072 179.539 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -75.52 -37.62 59.97 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.381 179.426 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.554 HD23 ' OG ' ' A' ' 5' ' ' SER . 4.4 mm? -80.99 -34.46 32.95 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.872 -0.603 . . . . 0.0 110.668 179.482 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.522 HD21 HG13 ' A' ' 33' ' ' ILE . 20.2 tp -75.18 -43.71 50.69 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.877 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.794 HD11 HD21 ' A' ' 38' ' ' LEU . 60.4 mt -71.58 -34.4 52.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.53 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -63.69 -28.66 70.05 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.174 178.955 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . 0.564 ' OG ' HG21 ' A' ' 29' ' ' ILE . 77.6 p -74.67 -43.03 57.3 Favored 'General case' 0 C--N 1.331 -0.2 0 N-CA-C 109.722 -0.473 . . . . 0.0 109.722 179.389 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.703 ' O ' HG23 ' A' ' 17' ' ' THR . 74.7 t80 -66.53 -38.83 87.99 Favored 'General case' 0 C--N 1.331 -0.211 0 N-CA-C 109.558 -0.534 . . . . 0.0 109.558 178.749 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.461 ' CE1' HG23 ' A' ' 10' ' ' ILE . 6.4 m-30 -72.0 -46.85 55.7 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.522 -0.763 . . . . 0.0 110.309 179.704 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 2.8 mmpt? -64.11 -45.1 90.12 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.408 179.337 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.545 ' HB1' ' HB3' ' A' ' 21' ' ' LEU . . . -63.15 -38.18 90.15 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.773 -0.648 . . . . 0.0 111.672 -179.627 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.703 HG23 ' O ' ' A' ' 13' ' ' TYR . 24.7 p -66.17 -32.48 73.94 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.859 0.361 . . . . 0.0 110.555 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 5.0 mt-10 -75.35 -46.33 33.8 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.508 -179.718 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . 0.766 ' HE3' HD12 ' A' ' 21' ' ' LEU . 3.7 ptt? -82.1 -14.19 56.13 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.217 -0.447 . . . . 0.0 112.187 -179.436 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 1.2 m-20 74.56 39.43 0.45 Allowed 'General case' 0 N--CA 1.461 0.123 0 CA-C-O 121.197 0.523 . . . . 0.0 110.084 -178.839 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.804 HD22 ' HB3' ' A' ' 25' ' ' PHE . 2.8 tt -55.57 159.3 2.96 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 115.479 -0.782 . . . . 0.0 110.448 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . 0.798 ' N ' HD23 ' A' ' 21' ' ' LEU . 50.0 t30 -42.14 132.52 3.27 Favored 'General case' 0 N--CA 1.471 0.599 0 N-CA-C 112.088 0.403 . . . . 0.0 112.088 -179.757 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 2.2 tpp180 -54.62 -27.14 37.36 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.956 -0.565 . . . . 0.0 111.836 -179.342 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 1.4 t0 -68.8 -37.03 78.96 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.738 0.304 . . . . 0.0 110.952 -179.86 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . 0.804 ' HB3' HD22 ' A' ' 21' ' ' LEU . 5.9 t80 -74.99 -41.54 59.3 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 109.5 -0.555 . . . . 0.0 109.5 179.219 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 59.3 mt -62.18 -42.89 96.9 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 115.561 -0.745 . . . . 0.0 109.955 178.929 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -73.51 -33.43 64.77 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.005 0.431 . . . . 0.0 110.199 179.296 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.634 HD23 ' N ' ' A' ' 29' ' ' ILE . 0.4 OUTLIER -65.51 -47.71 75.04 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.727 -0.669 . . . . 0.0 109.982 179.367 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.758 HD11 ' CD2' ' A' ' 25' ' ' PHE . 7.3 mt -68.13 -32.11 54.62 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.376 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.207 179.248 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -75.96 -33.31 59.78 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.087 179.22 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 52.6 m-20 -68.2 -29.14 67.92 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.872 -0.603 . . . . 0.0 110.949 179.69 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -80.46 -47.17 14.72 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 109.464 -0.569 . . . . 0.0 109.464 179.077 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.715 HG23 ' HB3' ' A' ' 38' ' ' LEU . 48.5 mt -63.66 -31.96 55.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-N 115.307 -0.86 . . . . 0.0 109.654 178.632 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 14.3 mttt -71.51 -47.67 53.81 Favored 'General case' 0 N--CA 1.455 -0.189 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.217 179.462 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 6.2 ttt180 -71.0 -23.44 62.19 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.683 178.96 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 78.6 mtt180 -83.03 5.46 22.19 Favored 'General case' 0 CA--C 1.534 0.351 0 CA-C-N 116.33 -0.396 . . . . 0.0 111.937 179.876 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 47.7 t 61.42 35.12 17.91 Favored 'General case' 0 C--O 1.231 0.098 0 CA-C-O 121.083 0.468 . . . . 0.0 110.407 -179.922 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.794 HD21 HD11 ' A' ' 10' ' ' ILE . 8.2 tp -123.14 25.17 8.58 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.725 -0.671 . . . . 0.0 110.687 -179.592 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -69.02 -9.56 60.18 Favored Glycine 0 C--N 1.336 0.572 0 C-N-CA 120.982 -0.627 . . . . 0.0 112.963 179.815 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -81.7 -29.15 33.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 117.363 0.582 . . . . 0.0 109.889 178.944 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.744 HG22 ' O ' ' A' ' 38' ' ' LEU . 6.2 tp -64.55 -33.07 60.6 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.303 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.207 179.316 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.842 HD12 HG21 ' A' ' 44' ' ' VAL . 12.1 pt -81.32 154.3 4.19 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.196 0 CA-C-N 115.24 -0.891 . . . . 0.0 110.94 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 48.2 t -75.69 64.16 1.69 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.131 0.491 . . . . 0.0 110.026 179.405 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.842 HG21 HD12 ' A' ' 42' ' ' ILE . 38.1 t -122.88 147.59 27.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 115.732 -0.667 . . . . 0.0 111.252 -179.139 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 1.4 p -107.31 89.39 2.98 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.577 179.485 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 72.2 p . . . . . 0 C--O 1.248 0.975 0 CA-C-O 118.287 -0.863 . . . . 0.0 110.973 179.971 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.486 ' H1 ' HD11 ' A' ' 4' ' ' LEU . 17.7 mmt . . . . . 0 N--CA 1.489 1.475 0 CA-C-O 120.874 0.368 . . . . 0.0 111.195 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 56.2 ttt180 -83.04 -51.22 7.74 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.053 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . 0.623 ' O ' HD23 ' A' ' 4' ' ' LEU . 34.7 tttm -160.63 100.04 1.29 Allowed 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.046 -179.92 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.623 HD23 ' O ' ' A' ' 3' ' ' LYS . 3.6 mt -128.26 145.58 51.0 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.746 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 58.0 m -59.72 160.67 7.1 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.333 179.282 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -54.14 -29.29 44.64 Favored 'General case' 0 N--CA 1.466 0.345 0 CA-C-O 120.967 0.413 . . . . 0.0 110.136 179.585 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -68.83 -37.03 78.9 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.378 179.453 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -82.25 -37.48 25.86 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.046 179.576 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 18.8 tp -75.22 -37.54 61.06 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.223 -179.816 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.699 HD11 HD21 ' A' ' 38' ' ' LEU . 62.8 mt -75.83 -37.35 34.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-O 120.837 0.351 . . . . 0.0 110.326 179.8 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 32.1 mt-10 -62.22 -29.2 70.22 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.211 178.921 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . 0.475 ' OG ' HG21 ' A' ' 29' ' ' ILE . 95.7 p -74.71 -43.76 53.43 Favored 'General case' 0 C--N 1.331 -0.214 0 N-CA-C 109.826 -0.435 . . . . 0.0 109.826 179.26 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.645 ' O ' HG23 ' A' ' 17' ' ' THR . 59.8 t80 -68.19 -37.78 81.29 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.823 -0.626 . . . . 0.0 109.857 178.945 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.46 ' CZ ' ' CG2' ' A' ' 10' ' ' ILE . 8.1 m-30 -73.92 -41.37 62.17 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.698 -0.683 . . . . 0.0 110.481 179.835 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 1.5 mmpt? -64.94 -48.68 73.22 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.649 179.323 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.69 ' HB1' ' HB3' ' A' ' 21' ' ' LEU . . . -64.18 -35.21 80.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.935 -0.575 . . . . 0.0 111.759 -179.493 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.645 HG23 ' O ' ' A' ' 13' ' ' TYR . 16.2 p -66.21 -32.71 74.3 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.895 0.379 . . . . 0.0 110.512 179.791 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -74.86 -48.69 23.64 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.298 -179.884 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . 0.72 ' HE3' HD12 ' A' ' 21' ' ' LEU . 3.7 ptt? -80.35 -12.02 59.64 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.032 -0.531 . . . . 0.0 112.359 -179.472 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER 72.51 42.34 0.53 Allowed 'General case' 0 N--CA 1.463 0.224 0 CA-C-O 121.22 0.533 . . . . 0.0 109.966 -179.004 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.829 HD22 ' HB3' ' A' ' 25' ' ' PHE . 2.9 tt -57.11 158.3 5.26 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.499 -0.773 . . . . 0.0 110.52 -179.894 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . 0.801 ' N ' HD23 ' A' ' 21' ' ' LEU . 61.8 t30 -42.97 136.66 2.65 Favored 'General case' 0 N--CA 1.471 0.587 0 N-CA-C 112.159 0.429 . . . . 0.0 112.159 -179.645 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.81 -32.02 63.18 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.966 -0.561 . . . . 0.0 111.823 -179.354 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -65.32 -35.59 81.46 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.718 0.294 . . . . 0.0 111.202 -179.51 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . 0.912 ' CD2' HD11 ' A' ' 29' ' ' ILE . 8.3 t80 -74.79 -44.53 49.05 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 109.263 -0.643 . . . . 0.0 109.263 179.184 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 52.5 mt -61.07 -46.14 97.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 115.527 -0.76 . . . . 0.0 110.092 178.851 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 5.2 tt0 -69.22 -32.64 72.02 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.999 0.428 . . . . 0.0 110.07 179.303 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.605 HD23 ' N ' ' A' ' 29' ' ' ILE . 0.4 OUTLIER -66.92 -46.99 73.1 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.706 -0.679 . . . . 0.0 109.812 179.223 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.912 HD11 ' CD2' ' A' ' 25' ' ' PHE . 8.8 mt -68.81 -32.13 53.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.014 179.085 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.444 ' OE2' HG13 ' A' ' 44' ' ' VAL . 8.7 tt0 -76.45 -32.25 58.32 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.311 179.321 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 53.4 m-20 -67.54 -34.74 77.7 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.891 179.79 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 7.2 tt0 -77.03 -46.06 25.04 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 109.353 -0.61 . . . . 0.0 109.353 179.146 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.624 HG23 HD23 ' A' ' 38' ' ' LEU . 85.2 mt -61.2 -31.93 51.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 115.381 -0.827 . . . . 0.0 109.691 178.599 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 11.2 mttt -71.79 -49.41 39.07 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.452 179.647 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.75 -24.22 62.57 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.627 179.377 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -83.11 5.89 21.0 Favored 'General case' 0 CA--C 1.532 0.276 0 N-CA-C 112.159 0.429 . . . . 0.0 112.159 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 23.1 t 61.88 32.75 17.89 Favored 'General case' 0 C--O 1.231 0.11 0 CA-C-O 121.23 0.538 . . . . 0.0 110.285 -179.415 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.699 HD21 HD11 ' A' ' 10' ' ' ILE . 3.5 tp -120.87 17.25 11.81 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.523 -0.762 . . . . 0.0 110.995 -179.783 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -71.36 -7.31 63.6 Favored Glycine 0 C--N 1.337 0.625 0 C-N-CA 120.567 -0.825 . . . . 0.0 112.807 179.524 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 2.7 p-80 -81.26 -29.38 34.4 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 117.238 0.519 . . . . 0.0 110.247 179.348 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.62 HG12 HD13 ' A' ' 10' ' ' ILE . 5.6 tp -67.2 -36.36 76.6 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.331 0 CA-C-O 121.423 0.63 . . . . 0.0 110.014 179.823 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.75 HD12 HG22 ' A' ' 44' ' ' VAL . 16.4 pt -82.32 160.73 3.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 114.937 -1.029 . . . . 0.0 111.283 -179.814 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 31.3 t -96.06 74.13 3.0 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 109.638 -0.504 . . . . 0.0 109.638 178.751 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.75 HG22 HD12 ' A' ' 42' ' ' ILE . 1.6 t -78.09 141.13 15.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 115.738 -0.664 . . . . 0.0 110.967 -178.64 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 14.3 t -99.72 90.91 4.62 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.865 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 10.8 m . . . . . 0 C--O 1.249 1.066 0 CA-C-O 118.234 -0.888 . . . . 0.0 110.912 179.99 . . . . . . . . 0 0 . 1 . 021 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.642 ' SD ' HD12 ' A' ' 4' ' ' LEU . 17.2 mmt . . . . . 0 N--CA 1.486 1.357 0 CA-C-O 120.809 0.338 . . . . 0.0 111.087 . . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 4.0 ttt-85 -83.15 -51.53 7.41 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.088 -179.916 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . 0.596 ' O ' HD23 ' A' ' 4' ' ' LEU . 5.3 tppt? -178.5 89.1 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.963 -179.998 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.642 HD12 ' SD ' ' A' ' 1' ' ' MET . 5.5 mt -131.02 144.73 51.68 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.787 -179.947 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 57.9 m -61.42 163.34 6.82 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.543 179.486 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -57.46 -24.59 56.61 Favored 'General case' 0 N--CA 1.464 0.274 0 CA-C-O 120.792 0.33 . . . . 0.0 110.344 179.43 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -72.68 -36.82 67.97 Favored 'General case' 0 N--CA 1.454 -0.246 0 CA-C-O 120.912 0.387 . . . . 0.0 110.289 179.474 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -81.76 -34.43 30.42 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.504 179.332 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.552 HD12 HG23 ' A' ' 29' ' ' ILE . 38.8 tp -75.44 -45.55 38.02 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.918 179.738 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.693 HD13 HG12 ' A' ' 41' ' ' ILE . 86.7 mt -68.93 -37.82 77.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.832 -179.808 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -60.91 -28.69 69.11 Favored 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 109.798 -0.445 . . . . 0.0 109.798 178.35 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . 0.465 ' HB2' HG21 ' A' ' 29' ' ' ILE . 13.5 m -68.82 -47.65 65.52 Favored 'General case' 0 N--CA 1.455 -0.177 0 CA-C-O 121.069 0.461 . . . . 0.0 109.855 179.21 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.565 ' O ' HG23 ' A' ' 17' ' ' THR . 67.8 t80 -64.61 -36.25 83.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.353 179.212 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.457 ' CZ ' ' CG2' ' A' ' 10' ' ' ILE . 6.9 m-30 -74.61 -41.92 59.58 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.571 -0.741 . . . . 0.0 110.525 -179.955 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.453 ' HB3' ' HE1' ' A' ' 19' ' ' MET . 1.8 mtpt -67.05 -52.8 37.69 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.158 179.296 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.531 ' HA ' ' HE2' ' A' ' 19' ' ' MET . . . -59.44 -30.82 68.77 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.795 -0.639 . . . . 0.0 111.552 -179.905 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.565 HG23 ' O ' ' A' ' 13' ' ' TYR . 5.3 p -71.86 -32.35 67.4 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 109.92 -0.4 . . . . 0.0 109.92 179.259 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 13.3 mt-10 -76.91 -51.63 10.86 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.943 -0.571 . . . . 0.0 111.088 179.49 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . 0.57 ' CE ' HD12 ' A' ' 21' ' ' LEU . 0.1 OUTLIER -77.72 -15.78 58.9 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.971 -179.92 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 11.4 m120 73.32 42.89 0.4 Allowed 'General case' 0 N--CA 1.464 0.258 0 CA-C-O 121.17 0.509 . . . . 0.0 110.387 -179.477 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.802 HD23 ' N ' ' A' ' 22' ' ' ASN . 2.6 tt -58.67 159.31 6.79 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.747 -0.66 . . . . 0.0 110.428 179.932 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . 0.802 ' N ' HD23 ' A' ' 21' ' ' LEU . 39.2 t-20 -40.9 138.16 1.09 Allowed 'General case' 0 N--CA 1.472 0.631 0 N-CA-C 112.3 0.481 . . . . 0.0 112.3 -179.613 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 3.3 ttt180 -55.21 -30.71 60.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.844 -0.616 . . . . 0.0 111.876 -179.338 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 43.3 m-20 -66.18 -33.91 76.84 Favored 'General case' 0 C--N 1.326 -0.431 0 C-N-CA 121.009 -0.277 . . . . 0.0 111.106 -179.523 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . 0.789 ' CB ' HD22 ' A' ' 21' ' ' LEU . 2.5 t80 -75.39 -45.12 41.07 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 109.518 -0.549 . . . . 0.0 109.518 179.289 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 45.7 mt -61.71 -42.53 94.69 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 115.562 -0.745 . . . . 0.0 110.029 178.989 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -73.59 -33.54 64.66 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.228 179.514 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.589 HD23 ' N ' ' A' ' 29' ' ' ILE . 0.7 OUTLIER -67.32 -46.73 72.62 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.782 -0.645 . . . . 0.0 110.075 179.572 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.589 ' N ' HD23 ' A' ' 28' ' ' LEU . 10.9 mt -68.9 -32.53 55.01 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.055 179.08 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -76.51 -33.18 58.62 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.326 179.338 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 13.2 m-20 -69.7 -28.5 65.89 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.895 -0.593 . . . . 0.0 111.122 179.991 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 20.0 tp10 -80.73 -46.74 15.01 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 109.424 -0.584 . . . . 0.0 109.424 179.236 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.694 HG23 ' HB3' ' A' ' 38' ' ' LEU . 46.8 mt -64.56 -32.59 58.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-N 115.355 -0.839 . . . . 0.0 109.71 178.699 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 16.9 mmtt -69.56 -45.25 69.14 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.237 179.436 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.85 -24.04 62.44 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.477 178.729 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 3.4 mtt-85 -83.78 7.1 18.91 Favored 'General case' 0 CA--C 1.534 0.355 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.961 179.888 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 10.3 t 58.78 34.6 23.84 Favored 'General case' 0 C--O 1.232 0.147 0 CA-C-O 120.961 0.41 . . . . 0.0 110.488 -179.639 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.771 ' O ' HG22 ' A' ' 41' ' ' ILE . 8.6 tp -122.88 15.47 10.06 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.753 -0.658 . . . . 0.0 111.514 -179.457 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . 0.427 ' HA2' HG12 ' A' ' 42' ' ' ILE . . . -59.23 -24.57 59.0 Favored Glycine 0 C--N 1.339 0.726 0 C-N-CA 120.313 -0.946 . . . . 0.0 112.062 179.682 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 32.2 p-80 -62.58 -26.69 68.73 Favored 'General case' 0 C--N 1.327 -0.388 0 O-C-N 122.46 -0.435 . . . . 0.0 110.392 179.034 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.771 HG22 ' O ' ' A' ' 38' ' ' LEU . 5.6 tp -71.68 -30.34 37.87 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.439 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.769 179.96 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.454 ' CD1' HG22 ' A' ' 44' ' ' VAL . 17.5 pt -94.77 156.57 3.14 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.174 0 CA-C-N 115.714 -0.675 . . . . 0.0 111.43 -179.663 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 2.2 t -91.24 72.88 6.23 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 109.474 -0.565 . . . . 0.0 109.474 178.658 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.454 HG22 ' CD1' ' A' ' 42' ' ' ILE . 1.6 t -71.39 139.51 19.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 115.727 -0.67 . . . . 0.0 110.826 -178.868 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 26.7 m -69.39 90.11 0.51 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.719 179.92 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 14.7 t . . . . . 0 C--O 1.25 1.096 0 CA-C-O 118.213 -0.898 . . . . 0.0 110.818 179.953 . . . . . . . . 0 0 . 1 . 022 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.754 ' HE2' HD21 ' A' ' 28' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.399 0 CA-C-O 120.782 0.325 . . . . 0.0 111.128 . . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 10.3 mtm105 -76.53 -51.13 12.29 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.939 -179.88 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . 0.74 ' O ' HD23 ' A' ' 4' ' ' LEU . 0.4 OUTLIER -157.23 114.28 3.04 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.957 179.966 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.74 HD23 ' O ' ' A' ' 3' ' ' LYS . 2.8 mt -144.6 143.96 31.04 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.613 179.899 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 14.3 m -59.99 159.76 8.87 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.439 179.625 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -56.68 -25.26 53.46 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-O 120.832 0.349 . . . . 0.0 110.51 179.62 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -74.55 -36.05 63.09 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.349 179.548 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -79.35 -37.35 37.68 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.901 -0.59 . . . . 0.0 110.824 179.533 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.537 HD21 HG13 ' A' ' 33' ' ' ILE . 36.5 tp -75.15 -45.26 41.99 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.848 -0.615 . . . . 0.0 111.155 -179.88 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.679 HD13 HG12 ' A' ' 41' ' ' ILE . 72.4 mt -69.19 -34.35 62.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.678 -179.987 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -62.3 -28.81 69.99 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.146 178.645 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -72.9 -45.83 56.01 Favored 'General case' 0 C--N 1.331 -0.231 0 N-CA-C 109.8 -0.444 . . . . 0.0 109.8 179.45 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.737 ' O ' HG23 ' A' ' 17' ' ' THR . 63.0 t80 -65.73 -37.97 87.86 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.929 -0.578 . . . . 0.0 109.994 178.975 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.452 ' CZ ' ' CG2' ' A' ' 10' ' ' ILE . 8.1 m-30 -72.6 -42.73 64.19 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.676 -0.693 . . . . 0.0 110.455 179.699 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 5.9 mmpt? -66.92 -47.73 70.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.341 179.175 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.4 ' HB1' ' HB3' ' A' ' 21' ' ' LEU . . . -59.48 -35.12 73.5 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.85 -0.614 . . . . 0.0 111.551 -179.855 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.737 HG23 ' O ' ' A' ' 13' ' ' TYR . 35.7 p -70.24 -32.45 70.31 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.904 0.383 . . . . 0.0 110.41 179.691 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -78.2 -44.59 25.31 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.959 -0.564 . . . . 0.0 111.581 -179.86 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . 0.875 ' CE ' HD12 ' A' ' 21' ' ' LEU . 3.9 ptt? -83.61 -16.02 46.8 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 112.185 0.439 . . . . 0.0 112.185 -179.396 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 9.9 m-80 75.16 36.05 0.55 Allowed 'General case' 0 N--CA 1.464 0.241 0 CA-C-O 121.154 0.502 . . . . 0.0 110.033 -178.986 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.875 HD12 ' CE ' ' A' ' 19' ' ' MET . 2.9 tt -55.36 160.03 2.46 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.533 -0.758 . . . . 0.0 110.622 -179.995 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . 0.801 ' N ' HD23 ' A' ' 21' ' ' LEU . 52.8 t30 -42.93 133.58 3.62 Favored 'General case' 0 N--CA 1.469 0.479 0 CA-C-O 120.948 0.404 . . . . 0.0 112.062 -179.788 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 13.4 tpp180 -55.08 -24.98 28.17 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.854 -179.375 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 17.2 m-20 -68.45 -35.98 78.36 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.709 0.29 . . . . 0.0 111.047 -179.72 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . 0.683 ' HB3' HD22 ' A' ' 21' ' ' LEU . 2.4 t80 -75.38 -41.78 55.51 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 109.464 -0.569 . . . . 0.0 109.464 179.18 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 57.1 mt -61.66 -44.56 98.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 115.62 -0.718 . . . . 0.0 109.846 178.775 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 5.3 tt0 -72.53 -33.4 66.84 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.21 179.37 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.754 HD21 ' HE2' ' A' ' 1' ' ' MET . 0.8 OUTLIER -67.13 -46.15 74.98 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.745 -0.662 . . . . 0.0 110.148 179.474 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.662 HD11 ' CD2' ' A' ' 25' ' ' PHE . 5.8 mt -69.16 -32.41 53.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-O 120.943 0.402 . . . . 0.0 110.143 179.144 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.413 ' HB2' ' CE1' ' A' ' 13' ' ' TYR . 3.3 tt0 -76.81 -32.68 57.78 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.378 179.2 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 4.7 m-20 -69.06 -30.95 69.39 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.862 179.967 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 15.5 tp10 -79.88 -45.23 19.01 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 109.415 -0.587 . . . . 0.0 109.415 179.157 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.67 HG21 ' CG2' ' A' ' 42' ' ' ILE . 71.0 mt -63.99 -35.16 72.58 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-N 115.381 -0.827 . . . . 0.0 109.445 178.565 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 20.6 mttt -66.35 -47.2 74.2 Favored 'General case' 0 N--CA 1.453 -0.311 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.052 179.607 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.02 -25.01 62.48 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.669 179.18 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -80.92 3.09 23.96 Favored 'General case' 0 CA--C 1.532 0.266 0 CA-C-N 116.344 -0.389 . . . . 0.0 112.001 179.896 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 9.0 t 61.6 33.55 18.19 Favored 'General case' 0 CA--C 1.523 -0.074 0 CA-C-O 121.062 0.458 . . . . 0.0 110.333 -179.619 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.802 ' O ' HG22 ' A' ' 41' ' ' ILE . 8.2 tp -123.15 18.95 9.95 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.722 -0.672 . . . . 0.0 111.084 -179.663 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -60.22 -29.54 68.85 Favored Glycine 0 C--N 1.336 0.528 0 C-N-CA 120.619 -0.8 . . . . 0.0 111.741 179.22 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 3.1 p-80 -57.84 -28.31 63.99 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.872 0.368 . . . . 0.0 110.521 179.193 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.802 HG22 ' O ' ' A' ' 38' ' ' LEU . 5.9 tp -71.85 -30.21 36.57 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.36 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.334 179.645 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.67 ' CG2' HG21 ' A' ' 33' ' ' ILE . 0.7 OUTLIER -90.96 -27.01 5.02 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.207 0 CA-C-N 115.774 -0.648 . . . . 0.0 111.126 -179.774 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 3.9 t 73.09 70.04 0.12 Allowed 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 115.779 -0.646 . . . . 0.0 109.597 -178.411 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.497 HG22 HD11 ' A' ' 42' ' ' ILE . 1.7 t -71.34 152.51 8.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 115.606 -0.725 . . . . 0.0 110.83 -179.05 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 2.3 p -82.96 90.56 7.01 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.768 179.852 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 70.7 m . . . . . 0 C--O 1.25 1.098 0 CA-C-O 118.239 -0.886 . . . . 0.0 110.892 -179.99 . . . . . . . . 0 0 . 1 . 023 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.784 ' HE2' HD21 ' A' ' 28' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.376 0 CA-C-O 120.87 0.366 . . . . 0.0 111.158 . . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -83.65 -32.93 25.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.447 -179.803 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . 0.765 ' O ' HD23 ' A' ' 4' ' ' LEU . 0.3 OUTLIER -87.19 70.57 10.14 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.941 0.401 . . . . 0.0 111.471 -179.379 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.765 HD23 ' O ' ' A' ' 3' ' ' LYS . 3.1 mt -148.95 144.78 27.03 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.889 179.785 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 27.3 m -79.93 162.77 24.77 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.21 179.298 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . 0.545 ' O ' HD12 ' A' ' 10' ' ' ILE . 0.2 OUTLIER -58.43 -26.76 63.66 Favored 'General case' 0 N--CA 1.466 0.354 0 CA-C-O 120.939 0.4 . . . . 0.0 109.997 179.396 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -75.54 -36.34 60.49 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.425 179.531 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -81.77 -33.69 30.78 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.599 179.472 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.526 HD21 HG13 ' A' ' 33' ' ' ILE . 11.6 tp -75.27 -45.31 40.78 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.736 -0.665 . . . . 0.0 110.62 179.77 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.793 HD11 ' CD2' ' A' ' 38' ' ' LEU . 54.7 mt -70.29 -34.06 56.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.339 179.881 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 16.5 mm-40 -62.64 -28.51 69.96 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.17 178.627 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 3.7 m -73.26 -46.84 47.64 Favored 'General case' 0 C--N 1.331 -0.198 0 N-CA-C 109.669 -0.493 . . . . 0.0 109.669 179.182 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.771 ' O ' HG23 ' A' ' 17' ' ' THR . 58.1 t80 -63.51 -38.3 90.59 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.815 -0.63 . . . . 0.0 109.831 178.899 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.456 ' CE1' HG23 ' A' ' 10' ' ' ILE . 6.0 m-30 -73.06 -46.34 52.26 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.574 -0.739 . . . . 0.0 110.335 179.736 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 10.3 mmtt -64.91 -43.61 92.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.844 -0.617 . . . . 0.0 110.496 179.369 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.546 ' HB1' ' HB3' ' A' ' 21' ' ' LEU . . . -63.04 -37.0 85.45 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.805 -0.634 . . . . 0.0 111.595 -179.626 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.771 HG23 ' O ' ' A' ' 13' ' ' TYR . 39.5 p -67.78 -32.48 73.09 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.904 0.383 . . . . 0.0 110.359 179.707 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -75.07 -46.59 33.71 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.483 -179.874 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . 0.773 ' CE ' HD12 ' A' ' 21' ' ' LEU . 3.8 ptt? -82.4 -14.73 54.72 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.161 -0.472 . . . . 0.0 112.175 -179.461 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 4.3 m120 74.98 39.06 0.41 Allowed 'General case' 0 N--CA 1.463 0.184 0 CA-C-O 121.165 0.507 . . . . 0.0 110.002 -178.885 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.821 HD23 ' N ' ' A' ' 22' ' ' ASN . 3.2 tt -56.61 158.0 4.85 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.513 -0.767 . . . . 0.0 110.608 -179.855 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . 0.821 ' N ' HD23 ' A' ' 21' ' ' LEU . 19.1 t-20 -42.88 133.5 3.61 Favored 'General case' 0 N--CA 1.469 0.523 0 CA-C-O 120.939 0.4 . . . . 0.0 112.038 -179.837 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -54.64 -27.77 42.12 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.949 -0.569 . . . . 0.0 111.798 -179.419 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 1.2 t0 -66.24 -37.97 86.77 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 120.702 0.286 . . . . 0.0 111.005 -179.602 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . 0.769 ' HB3' HD22 ' A' ' 21' ' ' LEU . 2.6 t80 -74.83 -40.6 60.96 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 109.317 -0.623 . . . . 0.0 109.317 179.161 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 58.4 mt -62.58 -46.03 97.37 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-N 115.549 -0.751 . . . . 0.0 109.808 178.82 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 4.6 tt0 -70.83 -32.75 69.9 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.23 179.425 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.784 HD21 ' HE2' ' A' ' 1' ' ' MET . 0.7 OUTLIER -67.69 -46.68 71.6 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.059 179.524 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.666 HD11 ' CD2' ' A' ' 25' ' ' PHE . 6.0 mt -69.44 -32.29 52.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.012 179.161 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.407 ' HB2' ' CE1' ' A' ' 13' ' ' TYR . 5.8 tt0 -76.51 -32.82 58.51 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.186 179.189 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 7.9 m-20 -69.06 -29.26 67.35 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.912 179.684 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 3.9 tp10 -80.26 -44.56 19.44 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 109.573 -0.528 . . . . 0.0 109.573 179.152 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.668 HG23 ' HB3' ' A' ' 38' ' ' LEU . 49.0 mt -64.4 -33.56 63.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-N 115.371 -0.832 . . . . 0.0 109.575 178.768 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 10.7 mttt -69.26 -47.54 64.35 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.177 179.475 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -71.0 -24.92 62.47 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.671 179.102 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 55.3 mtt180 -81.02 3.76 21.98 Favored 'General case' 0 CA--C 1.533 0.318 0 CA-C-N 116.25 -0.432 . . . . 0.0 112.044 179.961 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 3.3 t 61.48 33.81 18.36 Favored 'General case' 0 C--O 1.232 0.146 0 CA-C-O 121.11 0.481 . . . . 0.0 110.31 -179.585 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.808 ' O ' HG22 ' A' ' 41' ' ' ILE . 8.8 tp -121.98 23.98 9.76 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.789 -179.568 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . 0.403 ' HA2' HG12 ' A' ' 42' ' ' ILE . . . -64.61 -22.06 67.59 Favored Glycine 0 C--N 1.335 0.514 0 C-N-CA 120.89 -0.672 . . . . 0.0 112.405 179.585 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 18.3 p-80 -67.45 -30.32 70.02 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.887 0.375 . . . . 0.0 110.228 179.497 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.808 HG22 ' O ' ' A' ' 38' ' ' LEU . 6.0 tp -66.01 -33.08 61.14 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.363 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.302 179.76 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 1.0 HD11 HG22 ' A' ' 44' ' ' VAL . 47.2 pt -93.61 -30.76 4.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 115.428 -0.805 . . . . 0.0 111.05 179.807 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 5.0 t 73.62 72.59 0.12 Allowed 'General case' 0 N--CA 1.452 -0.34 0 CA-C-N 115.333 -0.849 . . . . 0.0 109.003 -177.887 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 1.0 HG22 HD11 ' A' ' 42' ' ' ILE . 1.5 t -71.17 141.46 16.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 115.58 -0.736 . . . . 0.0 110.702 -178.575 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 1.2 m -98.54 91.04 4.97 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.841 179.962 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 70.5 m . . . . . 0 C--O 1.249 1.054 0 CA-C-O 118.241 -0.885 . . . . 0.0 110.852 179.984 . . . . . . . . 0 0 . 1 . 024 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.784 ' HB3' HD21 ' A' ' 4' ' ' LEU . 1.5 mtm . . . . . 0 N--CA 1.486 1.361 0 CA-C-O 120.97 0.414 . . . . 0.0 111.097 . . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 17.6 mtp180 -83.55 -42.8 16.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.441 -179.701 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 11.8 ttmt -68.77 78.84 0.3 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.408 -179.43 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.784 HD21 ' HB3' ' A' ' 1' ' ' MET . 0.3 OUTLIER 179.9 154.57 0.55 Allowed 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.29 -0.413 . . . . 0.0 111.132 179.747 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -82.9 163.32 21.18 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.297 179.303 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . 0.411 ' HB3' ' CD2' ' A' ' 38' ' ' LEU . 0.9 OUTLIER -57.79 -25.15 60.15 Favored 'General case' 0 N--CA 1.466 0.357 0 CA-C-O 120.831 0.348 . . . . 0.0 110.289 179.513 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -73.75 -36.63 65.15 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 121.008 0.433 . . . . 0.0 110.18 179.468 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -81.71 -33.6 31.06 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.398 179.199 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.763 ' HB2' HD13 ' A' ' 4' ' ' LEU . 18.1 tp -75.06 -47.02 30.94 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.694 -0.685 . . . . 0.0 110.567 179.712 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.753 HD13 HG12 ' A' ' 41' ' ' ILE . 60.9 mt -68.55 -35.67 71.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.572 -179.935 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 33.1 mt-10 -62.3 -28.58 69.83 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.182 178.625 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . 0.589 ' HB3' HD13 ' A' ' 29' ' ' ILE . 0.4 OUTLIER -72.39 -46.43 55.27 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.216 -0.447 . . . . 0.0 109.801 179.391 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.843 ' O ' HG23 ' A' ' 17' ' ' THR . 76.2 t80 -63.2 -38.67 92.08 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.808 -0.633 . . . . 0.0 109.758 178.86 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.453 ' CZ ' ' CG2' ' A' ' 10' ' ' ILE . 6.8 m-30 -72.21 -47.71 48.51 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.493 -0.776 . . . . 0.0 110.448 179.723 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 27.7 mtmt -64.23 -42.97 96.31 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.403 179.287 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -60.49 -37.03 79.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.893 -0.594 . . . . 0.0 111.613 -179.753 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.843 HG23 ' O ' ' A' ' 13' ' ' TYR . 82.1 p -69.35 -32.48 71.58 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.956 0.408 . . . . 0.0 110.268 179.508 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -76.31 -46.09 29.34 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.501 -179.956 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . 0.807 ' CE ' HD12 ' A' ' 21' ' ' LEU . 3.7 ptt? -83.58 -13.94 53.22 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.177 -0.465 . . . . 0.0 112.211 -179.405 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 3.1 m120 72.63 39.13 0.72 Allowed 'General case' 0 C--N 1.332 -0.164 0 CA-C-O 121.133 0.492 . . . . 0.0 110.14 -178.945 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.813 HD23 ' N ' ' A' ' 22' ' ' ASN . 3.1 tt -57.64 157.94 6.59 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.565 -0.743 . . . . 0.0 110.487 -179.919 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . 0.813 ' N ' HD23 ' A' ' 21' ' ' LEU . 10.4 t-20 -42.44 137.26 2.13 Favored 'General case' 0 N--CA 1.47 0.571 0 N-CA-C 112.197 0.443 . . . . 0.0 112.197 -179.791 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 1.5 ttm180 -57.01 -29.79 63.63 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.641 -179.424 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -64.94 -35.59 81.67 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.815 0.34 . . . . 0.0 110.86 -179.777 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . 0.773 ' HB3' HD22 ' A' ' 21' ' ' LEU . 2.9 t80 -75.25 -43.99 48.41 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 109.301 -0.629 . . . . 0.0 109.301 179.137 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 60.6 mt -60.99 -43.23 95.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 115.545 -0.752 . . . . 0.0 110.088 178.863 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -74.11 -33.49 63.6 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.198 179.454 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.573 HD23 ' N ' ' A' ' 29' ' ' ILE . 0.8 OUTLIER -66.83 -46.44 75.13 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.804 -0.634 . . . . 0.0 110.013 179.47 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.602 HD11 ' CD2' ' A' ' 25' ' ' PHE . 14.5 mt -69.24 -32.31 53.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.029 179.201 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -76.55 -32.73 58.37 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.26 179.194 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 52.4 m-20 -69.74 -29.65 67.06 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.912 179.761 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 16.4 tp10 -80.21 -46.15 16.81 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 109.378 -0.601 . . . . 0.0 109.378 179.229 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.595 HG23 ' HB3' ' A' ' 38' ' ' LEU . 67.0 mt -63.98 -33.54 62.84 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-N 115.423 -0.808 . . . . 0.0 109.559 178.587 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.61 ' HE2' HG21 ' A' ' 44' ' ' VAL . 8.5 mttt -68.99 -47.8 64.66 Favored 'General case' 0 N--CA 1.454 -0.247 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.212 179.397 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -70.93 -24.48 62.46 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.555 179.104 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 1.1 mmp_? -80.88 3.18 23.54 Favored 'General case' 0 CA--C 1.534 0.36 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.843 179.815 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 37.9 t 61.1 33.6 19.41 Favored 'General case' 0 C--O 1.23 0.04 0 CA-C-O 121.088 0.47 . . . . 0.0 110.249 -179.431 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.784 ' O ' HG22 ' A' ' 41' ' ' ILE . 10.1 tp -123.19 15.98 9.86 Favored 'General case' 0 CA--C 1.532 0.288 0 CA-C-N 115.706 -0.679 . . . . 0.0 111.381 -179.386 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -58.2 -26.14 58.32 Favored Glycine 0 C--N 1.336 0.554 0 C-N-CA 120.579 -0.819 . . . . 0.0 112.097 179.539 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 40' ' ' HIS . . . . . 0.41 ' NE2' HD12 ' A' ' 38' ' ' LEU . 3.4 p-80 -61.06 -30.62 70.44 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.921 0.391 . . . . 0.0 110.168 179.219 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.784 HG22 ' O ' ' A' ' 38' ' ' LEU . 6.0 tp -66.19 -31.96 55.98 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.314 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.214 179.512 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 1.109 HD11 HG22 ' A' ' 44' ' ' VAL . 5.8 pt -89.65 -28.87 5.06 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.111 0 CA-C-N 115.58 -0.736 . . . . 0.0 111.127 179.548 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . 0.414 ' N ' HG13 ' A' ' 42' ' ' ILE . 2.7 t 69.31 73.34 0.25 Allowed 'General case' 0 N--CA 1.452 -0.337 0 CA-C-N 115.527 -0.76 . . . . 0.0 109.266 -177.951 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 1.109 HG22 HD11 ' A' ' 42' ' ' ILE . 1.5 t -72.55 154.07 7.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 115.712 -0.676 . . . . 0.0 110.689 -178.588 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 27.4 t -86.04 90.87 8.23 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.844 179.906 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.3 p . . . . . 0 C--O 1.25 1.105 0 CA-C-O 118.19 -0.909 . . . . 0.0 110.955 179.97 . . . . . . . . 0 0 . 1 . 025 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.488 1.433 0 CA-C-O 120.825 0.345 . . . . 0.0 111.197 . . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -83.42 -29.56 28.01 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.119 -0.492 . . . . 0.0 111.347 -179.749 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . 0.677 ' O ' HD23 ' A' ' 4' ' ' LEU . 14.8 mtmm -103.93 80.23 1.73 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.475 -0.329 . . . . 0.0 111.389 -179.531 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.677 HD23 ' O ' ' A' ' 3' ' ' LYS . 17.7 mt -149.95 152.7 35.4 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.881 179.734 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.501 ' OG ' HD23 ' A' ' 8' ' ' LEU . 9.1 p -89.97 161.74 15.74 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.136 179.298 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . 0.495 ' O ' HD12 ' A' ' 10' ' ' ILE . 0.1 OUTLIER -58.09 -26.48 62.63 Favored 'General case' 0 N--CA 1.467 0.384 0 C-N-CA 120.685 -0.406 . . . . 0.0 110.097 179.451 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -75.98 -35.59 59.56 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.318 179.447 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.501 HD23 ' OG ' ' A' ' 5' ' ' SER . 3.7 mm? -81.81 -35.54 29.38 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.743 179.428 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.474 HD12 HG23 ' A' ' 29' ' ' ILE . 51.7 tp -75.17 -43.81 50.21 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.875 179.902 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.828 HD11 HD21 ' A' ' 38' ' ' LEU . 63.4 mt -69.38 -40.23 79.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-N 116.433 -0.349 . . . . 0.0 110.762 -179.805 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -60.8 -28.24 68.62 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 109.869 -0.419 . . . . 0.0 109.869 178.387 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . 0.41 ' C ' HD13 ' A' ' 29' ' ' ILE . 69.6 m -70.59 -44.21 67.8 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-O 121.069 0.461 . . . . 0.0 109.972 179.407 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.4 ' N ' HG21 ' A' ' 29' ' ' ILE . 67.5 t80 -67.5 -39.64 85.19 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.017 179.232 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.457 ' CZ ' ' CG2' ' A' ' 10' ' ' ILE . 7.7 m-30 -72.5 -39.69 67.43 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.408 -0.814 . . . . 0.0 110.73 179.963 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.432 ' HD2' ' N ' ' A' ' 15' ' ' LYS . 0.0 OUTLIER -65.43 -53.31 44.74 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.155 -0.475 . . . . 0.0 109.915 179.591 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.453 ' HB1' ' HB3' ' A' ' 21' ' ' LEU . . . -57.3 -34.24 68.51 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.625 -0.716 . . . . 0.0 111.817 -179.702 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 6.1 p -69.29 -32.62 71.89 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.887 0.375 . . . . 0.0 110.306 179.645 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 6.4 mt-10 -78.57 -46.56 19.12 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.292 179.848 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . 0.855 ' CE ' HD12 ' A' ' 21' ' ' LEU . 3.0 ptt? -82.8 -9.15 59.47 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 112.379 0.511 . . . . 0.0 112.379 -179.64 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 36.0 m-20 66.5 40.85 3.36 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.065 0.459 . . . . 0.0 110.651 -178.999 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.855 HD12 ' CE ' ' A' ' 19' ' ' MET . 2.9 tt -59.36 159.7 7.62 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.2 179.629 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . 0.803 ' N ' HD23 ' A' ' 21' ' ' LEU . 6.1 t-20 -40.93 132.58 2.3 Favored 'General case' 0 N--CA 1.472 0.635 0 N-CA-C 112.298 0.481 . . . . 0.0 112.298 -179.743 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 5.6 tmm_? -53.99 -25.42 20.85 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.985 -0.552 . . . . 0.0 112.023 -179.344 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -69.47 -35.42 75.59 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.765 0.317 . . . . 0.0 110.913 -179.753 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . 0.687 ' CD2' HD11 ' A' ' 29' ' ' ILE . 4.2 t80 -74.0 -45.65 48.55 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 109.363 -0.606 . . . . 0.0 109.363 179.233 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 62.5 mt -59.07 -43.81 90.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 115.551 -0.75 . . . . 0.0 110.241 178.939 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 4.1 tt0 -72.85 -34.82 67.01 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.063 0.459 . . . . 0.0 110.295 179.615 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.633 HD23 ' N ' ' A' ' 29' ' ' ILE . 0.5 OUTLIER -65.13 -47.76 75.98 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.009 179.339 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.687 HD11 ' CD2' ' A' ' 25' ' ' PHE . 10.5 mt -67.11 -32.77 59.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.207 179.337 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -76.33 -31.92 58.41 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.294 179.445 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 3.9 m-20 -69.58 -28.96 66.42 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.037 179.815 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 16.0 tp10 -80.4 -44.63 19.03 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.212 0.529 . . . . 0.0 109.644 179.335 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.714 HG23 ' HB3' ' A' ' 38' ' ' LEU . 42.6 mt -64.51 -32.92 59.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-N 115.354 -0.839 . . . . 0.0 109.882 178.925 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 4.4 mtmt -68.91 -46.19 68.94 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.045 179.272 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 17.8 mtt180 -69.59 -25.18 63.84 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.57 179.066 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 9.7 mtt180 -82.93 6.47 18.49 Favored 'General case' 0 CA--C 1.534 0.331 0 CA-C-N 116.209 -0.45 . . . . 0.0 112.209 -179.906 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 5.3 t 60.14 32.89 21.09 Favored 'General case' 0 C--O 1.232 0.141 0 CA-C-O 120.968 0.414 . . . . 0.0 110.456 -179.74 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.828 HD21 HD11 ' A' ' 10' ' ' ILE . 8.3 tp -121.11 28.04 8.08 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.618 -179.615 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -72.06 -6.29 64.02 Favored Glycine 0 C--N 1.335 0.49 0 C-N-CA 121.043 -0.599 . . . . 0.0 112.877 179.52 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 9.4 p-80 -85.04 -32.31 22.97 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 117.304 0.552 . . . . 0.0 109.609 178.899 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.702 HG22 ' O ' ' A' ' 38' ' ' LEU . 6.1 tp -60.35 -33.69 54.87 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.279 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.046 179.106 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.878 HD12 HG21 ' A' ' 44' ' ' VAL . 13.7 pt -80.68 159.52 4.17 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.18 0 CA-C-N 115.051 -0.977 . . . . 0.0 110.763 179.674 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 37.3 t -80.02 61.37 3.87 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.152 0.501 . . . . 0.0 110.077 179.362 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.878 HG21 HD12 ' A' ' 42' ' ' ILE . 25.2 t -122.82 133.39 69.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 115.819 -0.628 . . . . 0.0 111.281 -179.215 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 38.0 t -99.14 89.46 4.25 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.891 0.377 . . . . 0.0 110.461 179.483 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 26.8 p . . . . . 0 C--O 1.249 1.055 0 CA-C-O 118.303 -0.856 . . . . 0.0 110.887 -179.981 . . . . . . . . 0 0 . 1 stop_ save_