data_2mw2_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 2mw2 _Structure_validation_residue.Date_analyzed 2016-10-08 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.482 1.137 0 CA-C-O 120.512 0.196 . . . . 10.0 110.627 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -91.12 153.94 19.71 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.544 -0.298 . . . . 10.0 110.582 179.685 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 37.7 pttt -70.57 -20.13 62.81 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.752 0.311 . . . . 10.0 110.893 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -67.48 -37.54 83.05 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.301 -0.409 . . . . 10.0 110.649 179.177 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 31.2 m-20 -61.04 -50.58 72.77 Favored 'General case' 0 CA--C 1.521 -0.162 0 CA-C-O 121.401 0.62 . . . . 10.0 109.847 179.543 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 84.7 m-85 -65.59 -35.64 81.42 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.295 -0.866 . . . . 10.0 110.501 179.481 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 60.9 tp -60.45 -42.4 96.06 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.51 -0.313 . . . . 10.0 110.447 179.658 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 14.9 mmt -70.35 -33.8 71.88 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.785 0.326 . . . . 10.0 110.938 -179.756 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.65 -32.29 63.92 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.276 -0.42 . . . . 10.0 110.565 179.602 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 81.8 mt -86.91 -18.28 31.19 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.449 -0.342 . . . . 10.0 111.417 -179.647 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . 0.479 ' HA ' ' NE ' ' A' ' 50' ' ' ARG . 49.8 mtt180 -72.58 -7.04 48.14 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.878 0.371 . . . . 10.0 110.8 179.724 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 61.4 mtm-85 -84.18 -13.82 51.79 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.147 -0.479 . . . . 10.0 109.97 178.763 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 20.7 m -95.89 134.78 38.46 Favored 'General case' 0 C--O 1.236 0.351 0 CA-C-N 115.695 -0.684 . . . . 10.0 109.892 179.181 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 19.3 mm-40 -120.85 -166.99 1.41 Allowed 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.358 -0.383 . . . . 10.0 110.817 -179.378 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' THR . . . . . 0.43 ' O ' ' HB ' ' A' ' 21' ' ' ILE . 11.0 p 60.48 -3.7 0.13 Allowed 'General case' 0 N--CA 1.473 0.711 0 N-CA-C 114.531 1.308 . . . . 10.0 114.531 179.052 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . 0.43 ' HB ' ' O ' ' A' ' 20' ' ' THR . 98.7 mt 71.97 -51.82 0.24 Allowed 'Isoleucine or valine' 0 N--CA 1.474 0.749 0 C-N-CA 122.756 0.422 . . . . 10.0 110.858 -178.952 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -55.3 -39.57 70.05 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.661 -0.7 . . . . 10.0 111.205 179.793 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 5.1 m -65.97 -34.72 78.75 Favored 'General case' 0 C--O 1.235 0.29 0 CA-C-O 121.108 0.48 . . . . 10.0 110.771 179.099 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.484 ' O ' HG12 ' A' ' 28' ' ' ILE . 34.3 tp -68.17 -37.71 81.29 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.958 -0.565 . . . . 10.0 110.646 -179.466 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 19.2 tp10 -64.21 -25.97 68.3 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.039 0.447 . . . . 10.0 111.182 -179.7 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 27.8 mtt85 -80.47 -41.6 24.07 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.565 -0.289 . . . . 10.0 111.583 -179.761 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 13.8 p -68.72 -41.25 82.43 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 C-N-CA 120.906 -0.318 . . . . 10.0 111.308 -178.912 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . 0.484 HG12 ' O ' ' A' ' 24' ' ' LEU . 40.0 pt -67.98 -30.55 48.57 Favored 'Isoleucine or valine' 0 N--CA 1.461 0.1 0 CA-C-O 120.794 0.331 . . . . 10.0 110.46 179.806 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 45.8 tp10 -67.38 -39.85 85.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.984 -0.553 . . . . 10.0 110.181 179.217 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 33.5 mttp -75.6 -47.83 24.88 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.0 -0.546 . . . . 10.0 111.481 -179.516 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . 0.54 ' O ' ' HG ' ' A' ' 35' ' ' LEU . 12.8 m120 -61.81 -24.18 66.7 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.794 0.33 . . . . 10.0 110.796 -179.654 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 18.0 ttmt -57.87 -30.69 66.03 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.911 -0.586 . . . . 10.0 111.083 179.675 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 44.5 m-85 -99.98 5.4 45.16 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.28 -0.418 . . . . 10.0 111.323 -179.31 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 72.9 mt-10 -109.37 -34.06 6.65 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.352 -0.385 . . . . 10.0 111.058 179.789 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.54 ' HG ' ' O ' ' A' ' 31' ' ' ASN . 53.1 mt -67.35 153.29 44.04 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.254 -0.43 . . . . 10.0 111.312 -179.053 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' SER . . . . . 0.613 ' HB2' ' OD1' ' A' ' 38' ' ' ASN . 1.3 m -95.03 15.14 19.66 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.961 -0.563 . . . . 10.0 111.313 -178.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . 0.484 ' HB2' ' O ' ' A' ' 36' ' ' SER . 98.5 m-20 78.69 -26.23 0.18 Allowed 'General case' 0 C--O 1.257 1.5 0 C-N-CA 124.733 1.213 . . . . 0.0 111.06 177.337 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . 0.613 ' OD1' ' HB2' ' A' ' 36' ' ' SER . 3.0 p-10 -72.48 -38.62 68.13 Favored 'General case' 0 C--N 1.322 -0.63 0 O-C-N 120.507 -1.371 . . . . 10.0 111.223 -179.024 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -88.91 -12.06 42.77 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.255 0.55 . . . . 10.0 109.828 -179.832 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 54.8 tp -60.63 -26.38 66.99 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.395 -0.821 . . . . 10.0 110.717 179.607 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -59.14 -52.67 64.73 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.153 -0.476 . . . . 10.0 111.231 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 5.7 m -79.03 -24.3 12.85 Favored 'Isoleucine or valine' 0 C--O 1.233 0.236 0 C-N-CA 120.933 -0.307 . . . . 10.0 110.674 179.612 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 49.2 t80 -64.76 -38.61 91.58 Favored 'General case' 0 C--N 1.33 -0.273 0 N-CA-C 109.665 -0.495 . . . . 10.0 109.665 178.902 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 1.6 m-85 -60.05 -45.25 93.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.026 -0.534 . . . . 10.0 109.711 178.541 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' SER . . . . . 0.625 ' O ' ' HB2' ' A' ' 49' ' ' HIS . 23.8 m -62.0 -38.92 90.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.72 -0.673 . . . . 10.0 110.666 179.15 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -65.11 -46.4 81.2 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.327 -0.397 . . . . 10.0 111.031 179.827 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -64.3 -49.57 71.26 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.032 -0.531 . . . . 10.0 110.715 179.737 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 18.7 m-20 -59.15 -45.27 91.41 Favored 'General case' 0 N--CA 1.463 0.211 0 CA-C-O 121.251 0.548 . . . . 10.0 110.147 179.593 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' HIS . . . . . 0.625 ' HB2' ' O ' ' A' ' 45' ' ' SER . 0.7 OUTLIER -61.11 -45.96 92.56 Favored 'General case' 0 N--CA 1.462 0.169 0 CA-C-N 115.566 -0.743 . . . . 10.0 110.63 -180.0 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . 0.479 ' NE ' ' HA ' ' A' ' 16' ' ' ARG . 23.0 tpt180 -63.63 -40.72 97.6 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.644 -0.707 . . . . 10.0 111.525 -179.623 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 35.7 tp -68.18 -40.21 82.34 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.532 -0.304 . . . . 10.0 110.892 -179.679 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -60.3 -50.49 73.41 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.355 -0.384 . . . . 10.0 111.978 -179.738 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -65.74 -34.65 78.69 Favored 'General case' 0 C--O 1.235 0.292 0 CA-C-O 120.822 0.344 . . . . 10.0 111.073 -179.345 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 8.2 tp -73.55 -34.52 65.21 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.271 -0.422 . . . . 10.0 111.508 -179.474 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 78.3 m -71.02 -42.7 69.21 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.83 0.348 . . . . 10.0 111.102 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 95.1 mmm -79.97 -11.88 59.76 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.222 -0.445 . . . . 10.0 110.815 -179.911 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 21.8 t30 61.12 35.3 18.68 Favored 'General case' 0 N--CA 1.464 0.275 0 CA-C-N 115.546 -0.752 . . . . 10.0 111.041 179.73 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 18.8 tptp -151.59 113.75 4.52 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.721 -0.672 . . . . 10.0 109.478 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 2.2 mp -70.3 130.04 40.93 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 116.14 -0.482 . . . . 10.0 111.495 -179.554 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 21.5 m-85 -138.99 139.36 37.87 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.617 -0.72 . . . . 10.0 109.593 179.368 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 69.8 m-20 -60.56 -54.32 46.85 Favored 'General case' 0 CA--C 1.514 -0.407 0 N-CA-C 108.952 -0.758 . . . . 10.0 108.952 178.791 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -101.92 145.2 29.57 Favored 'General case' 0 N--CA 1.446 -0.667 0 N-CA-C 108.076 -1.083 . . . . 10.0 108.076 177.572 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 40.6 mm -104.87 119.11 54.48 Favored Pre-proline 0 C--N 1.319 -0.75 0 C-N-CA 120.384 -0.526 . . . . 10.0 111.265 -179.188 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 48.6 Cg_exo -55.06 143.69 72.59 Favored 'Trans proline' 0 CA--C 1.532 0.405 0 C-N-CA 122.668 2.245 . . . . 10.0 111.54 178.434 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -55.27 -39.35 69.71 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 113.217 0.821 . . . . 10.0 113.217 -177.881 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 97.8 p -69.11 -9.73 54.16 Favored 'General case' 0 C--O 1.258 1.523 0 O-C-N 121.653 -0.654 . . . . 0.0 111.0 -177.251 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 91.1 t -82.51 -29.2 8.87 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.116 0 CA-C-N 119.462 1.028 . . . . 10.0 111.279 -178.579 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' TRP . . . . . 0.445 ' HA ' HD13 ' A' ' 71' ' ' ILE . 64.7 m95 -63.19 -15.78 58.05 Favored 'General case' 0 N--CA 1.466 0.351 0 CA-C-O 121.12 0.486 . . . . 10.0 111.377 -179.51 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 25.4 tptp -73.4 -18.38 61.16 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.893 -0.594 . . . . 10.0 111.529 -179.493 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 33.9 m-85 -96.13 8.38 43.96 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 111.848 0.314 . . . . 10.0 111.848 -178.667 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . 0.445 HD13 ' HA ' ' A' ' 68' ' ' TRP . 1.7 mp -89.42 127.03 42.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-O 121.005 0.431 . . . . 10.0 110.456 -179.917 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . 0.416 HH11 ' HD3' ' A' ' 72' ' ' ARG . 4.7 mmp_? . . . . . 0 C--O 1.251 1.141 0 CA-C-O 118.431 -0.795 . . . . 10.0 110.071 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.449 -0.482 0 CA-C-O 120.935 0.397 . . . . 10.0 110.156 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . -78.06 -37.05 47.56 Favored 'General case' 0 N--CA 1.454 -0.263 0 CA-C-N 116.196 -0.456 . . . . 10.0 110.964 -179.916 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 8.1 mp -72.4 -10.18 59.46 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.313 -0.403 . . . . 10.0 111.24 -179.812 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 9.5 tptt -74.68 -49.33 21.69 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.168 -0.469 . . . . 10.0 110.672 -179.627 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 7' ' ' ILE . . . . . . . . . . . . . 26.9 pt -76.63 -16.45 14.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.035 -0.529 . . . . 10.0 111.345 -179.374 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -75.63 -17.02 60.13 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.897 -0.592 . . . . 10.0 112.106 -179.287 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 9' ' ' ASN . . . . . . . . . . . . . 65.3 t30 -81.77 -5.4 58.13 Favored 'General case' 0 C--N 1.33 -0.28 0 C-N-CA 120.999 -0.28 . . . . 10.0 111.639 -178.89 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 10' ' ' ASN . . . . . 0.482 ' HB3' ' OG1' ' B' ' 13' ' ' THR . 15.5 t-20 -122.08 128.88 51.86 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.233 0.539 . . . . 10.0 110.901 179.423 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 15.4 mt -61.38 -36.54 73.7 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-N 115.202 -0.908 . . . . 10.0 112.29 -178.456 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 12' ' ' ARG . . . . . 0.482 ' HB2' ' OD1' ' B' ' 10' ' ' ASN . 98.0 mtt180 -64.19 -51.13 65.25 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.746 -0.206 . . . . 10.0 111.475 -179.254 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 13' ' ' THR . . . . . 0.482 ' OG1' ' HB3' ' B' ' 10' ' ' ASN . 0.6 OUTLIER -66.64 -36.03 81.6 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.129 0.49 . . . . 10.0 110.862 179.896 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 11.6 tp -61.8 -38.54 88.47 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.524 -0.762 . . . . 10.0 110.969 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 15' ' ' ARG . . . . . 0.402 ' O ' ' HG2' ' B' ' 19' ' ' ARG . 62.3 mtt180 -61.88 -37.96 86.53 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.27 -0.423 . . . . 10.0 111.256 179.673 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 16' ' ' ALA . . . . . . . . . . . . . . . -67.69 -41.87 82.98 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.358 -0.383 . . . . 10.0 112.014 -179.124 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 17' ' ' GLN . . . . . 0.58 ' O ' ' HG2' ' B' ' 20' ' ' GLU . 0.9 OUTLIER -74.11 -27.23 60.77 Favored 'General case' 0 C--N 1.327 -0.392 0 C-N-CA 120.946 -0.302 . . . . 10.0 110.948 -179.391 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -77.15 0.89 19.99 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.962 0.411 . . . . 10.0 111.214 179.808 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 19' ' ' ARG . . . . . 0.402 ' HG2' ' O ' ' B' ' 15' ' ' ARG . 20.8 mmt180 -88.78 -8.88 53.63 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.293 -0.412 . . . . 10.0 110.77 179.833 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 20' ' ' GLU . . . . . 0.58 ' HG2' ' O ' ' B' ' 17' ' ' GLN . 11.2 pt-20 -107.44 8.72 29.65 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.156 0.503 . . . . 10.0 110.845 -179.821 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 21' ' ' CYS . . . . . . . . . . . . . 65.5 m -127.49 133.99 49.84 Favored 'General case' 0 CA--C 1.511 -0.552 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.967 179.571 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -66.81 159.05 28.94 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 116.325 -0.398 . . . . 10.0 110.68 178.16 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 29.6 tp -50.84 -44.38 59.41 Favored 'General case' 0 C--N 1.33 -0.26 0 O-C-N 123.445 0.466 . . . . 10.0 111.646 -179.323 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -53.64 -49.32 68.16 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.917 -0.583 . . . . 10.0 112.055 -179.462 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -61.28 -40.46 94.2 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.469 -0.332 . . . . 10.0 111.235 -179.844 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 82.5 mt -64.01 -44.91 91.18 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.02 -0.536 . . . . 10.0 110.434 -179.873 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 8.8 mt-10 -66.1 -43.22 87.87 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.257 -0.428 . . . . 10.0 110.538 179.339 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 15.2 tt0 -61.37 -46.1 91.62 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.119 -0.491 . . . . 10.0 111.24 -179.728 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 29' ' ' MET . . . . . . . . . . . . . 20.7 ptp -68.5 -31.67 71.09 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.685 -0.234 . . . . 10.0 110.99 -179.355 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 52.3 tp -64.82 -43.43 93.15 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 109.736 -0.468 . . . . 10.0 109.736 179.576 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 -63.71 -40.45 96.79 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.72 -0.673 . . . . 10.0 110.476 179.007 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -66.34 -40.32 89.77 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.802 -0.635 . . . . 10.0 110.862 179.831 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 33' ' ' LEU . . . . . 0.47 ' O ' HG22 ' B' ' 37' ' ' VAL . 26.7 tp -70.96 -37.25 72.78 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.035 0.445 . . . . 10.0 110.034 179.057 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 5.2 tp10 -55.5 -52.21 64.43 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.675 -0.693 . . . . 10.0 111.539 179.845 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 35' ' ' VAL . . . . . . . . . . . . . 34.5 m -64.95 -29.85 48.61 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.109 0 CA-C-N 116.65 -0.25 . . . . 10.0 111.494 -179.235 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 24.3 t -69.6 -46.61 75.0 Favored 'Isoleucine or valine' 0 C--O 1.234 0.261 0 N-CA-C 109.709 -0.478 . . . . 10.0 109.709 179.02 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 37' ' ' VAL . . . . . 0.47 HG22 ' O ' ' B' ' 33' ' ' LEU . 48.6 t -65.09 -35.12 74.69 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.161 0 N-CA-C 109.087 -0.709 . . . . 10.0 109.087 178.336 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 56.3 t30 -62.61 -40.68 97.74 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.721 -0.672 . . . . 10.0 109.726 178.699 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 39' ' ' GLU . . . . . 0.509 ' O ' ' HG3' ' B' ' 43' ' ' GLU . 79.7 mt-10 -61.13 -47.39 86.46 Favored 'General case' 0 CA--C 1.52 -0.183 0 CA-C-N 116.026 -0.534 . . . . 10.0 109.76 178.694 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 7.9 mmm180 -64.1 -42.85 96.75 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.894 -0.594 . . . . 10.0 110.191 179.487 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 41' ' ' ARG . . . . . 0.407 HH21 ' CD ' ' C' ' 27' ' ' GLU . 82.8 mtt180 -60.34 -39.85 88.58 Favored 'General case' 0 CA--C 1.521 -0.144 0 CA-C-N 116.119 -0.492 . . . . 10.0 110.271 179.542 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 7.0 tp10 -60.08 -50.93 71.77 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.886 -0.597 . . . . 10.0 109.957 178.851 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 43' ' ' GLU . . . . . 0.509 ' HG3' ' O ' ' B' ' 39' ' ' GLU . 59.0 mt-10 -64.93 -38.45 91.02 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.044 -0.526 . . . . 10.0 110.54 -179.874 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 2.5 tp10 -62.91 -34.62 77.83 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.931 -0.577 . . . . 10.0 111.793 -179.563 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 45' ' ' SER . . . . . . . . . . . . . 3.2 p -92.48 -26.14 18.1 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 112.131 0.419 . . . . 10.0 112.131 -178.76 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.327 -0.373 0 CA-C-O 120.637 0.256 . . . . 10.0 111.359 179.946 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' C' C ' 3' ' ' GLU . . . . . . . . . . . . . 2.7 mp0 . . . . . 0 CA--C 1.528 0.112 0 CA-C-O 120.985 0.421 . . . . 10.0 111.625 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' C' C ' 4' ' ' ALA . . . . . . . . . . . . . . . -81.2 12.28 3.61 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 112.639 0.607 . . . . 10.0 112.639 -178.895 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 5' ' ' LEU . . . . . . . . . . . . . 78.2 mt -124.97 -22.64 4.42 Favored 'General case' 0 C--N 1.328 -0.363 0 C-N-CA 121.055 -0.258 . . . . 10.0 111.517 -179.404 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 6' ' ' LYS . . . . . . . . . . . . . 20.3 tptm -59.1 -48.14 82.68 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 111.789 0.292 . . . . 10.0 111.789 -178.91 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 7' ' ' ILE . . . . . 0.4 HD13 ' H ' ' C' ' 7' ' ' ILE . 0.3 OUTLIER -68.74 -16.36 20.82 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 116.402 -0.363 . . . . 10.0 111.832 -179.523 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' C' C ' 8' ' ' LEU . . . . . . . . . . . . . 3.1 mp -83.74 -17.5 41.01 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.988 0.423 . . . . 10.0 111.361 -179.514 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 9' ' ' ASN . . . . . . . . . . . . . 8.0 t-20 -85.5 -7.59 58.81 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.184 -0.462 . . . . 10.0 111.67 -178.525 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 10' ' ' ASN . . . . . 0.469 ' HB2' ' OG1' ' C' ' 13' ' ' THR . 22.1 m120 -103.73 119.86 39.77 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 109.817 -0.438 . . . . 10.0 109.817 179.399 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 11' ' ' ILE . . . . . . . . . . . . . 12.2 tt -62.27 -27.22 42.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.673 0.273 . . . . 10.0 111.168 -179.213 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 12' ' ' ARG . . . . . . . . . . . . . 38.4 mmt180 -63.57 -53.56 49.78 Favored 'General case' 0 C--O 1.234 0.275 0 CA-C-N 116.588 -0.278 . . . . 10.0 110.542 179.689 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 13' ' ' THR . . . . . 0.469 ' OG1' ' HB2' ' C' ' 10' ' ' ASN . 0.7 OUTLIER -72.28 -37.47 69.03 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.345 -0.389 . . . . 10.0 111.092 179.901 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' C' C ' 14' ' ' LEU . . . . . . . . . . . . . 16.9 tp -59.83 -47.79 84.31 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.03 -0.532 . . . . 10.0 110.863 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 15' ' ' ARG . . . . . 0.404 HH11 ' HD2' ' C' ' 15' ' ' ARG . 36.6 ttm105 -68.46 -23.4 64.59 Favored 'General case' 0 CA--C 1.533 0.297 0 CA-C-O 121.08 0.467 . . . . 10.0 110.787 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 16' ' ' ALA . . . . . . . . . . . . . . . -80.04 -51.3 9.2 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.312 -0.404 . . . . 10.0 110.718 -179.874 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 17' ' ' GLN . . . . . . . . . . . . . 13.3 mt-30 -73.5 -9.89 59.15 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.29 -0.414 . . . . 10.0 111.701 -179.081 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 18' ' ' ALA . . . . . . . . . . . . . . . -74.58 -6.37 48.18 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.004 0.43 . . . . 10.0 110.532 178.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.64 -1.88 57.86 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.004 -0.543 . . . . 10.0 110.243 179.704 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 20' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -72.01 -29.82 64.59 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.85 -0.614 . . . . 10.0 110.787 -179.568 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 21' ' ' CYS . . . . . . . . . . . . . 72.9 m -135.1 160.15 39.27 Favored 'General case' 0 CA--C 1.51 -0.558 0 CA-C-O 121.572 0.701 . . . . 0.0 110.959 -179.806 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 22' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -78.04 168.84 19.26 Favored 'General case' 0 C--O 1.235 0.331 0 CA-C-N 115.445 -0.798 . . . . 10.0 111.079 179.144 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 23.7 tp -57.07 -27.88 62.09 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-N 116.334 -0.394 . . . . 10.0 111.319 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 24' ' ' GLU . . . . . . . . . . . . . 7.5 tp10 -52.86 -62.95 1.32 Allowed 'General case' 0 N--CA 1.463 0.187 0 CA-C-N 116.027 -0.533 . . . . 10.0 110.83 179.726 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 25' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -66.4 -35.89 81.47 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.317 -0.401 . . . . 10.0 111.236 -179.696 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 26' ' ' LEU . . . . . . . . . . . . . 34.8 mt -61.44 -42.3 98.54 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.106 -0.497 . . . . 10.0 111.264 -179.87 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 27' ' ' GLU . . . . . 0.407 ' CD ' HH21 ' B' ' 41' ' ' ARG . 12.1 tt0 -69.13 -46.85 66.61 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.497 -0.319 . . . . 10.0 111.447 -179.246 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 28' ' ' GLU . . . . . 0.434 ' O ' ' HG3' ' C' ' 32' ' ' LYS . 32.5 tt0 -59.08 -37.34 76.86 Favored 'General case' 0 N--CA 1.464 0.254 0 O-C-N 123.055 0.222 . . . . 10.0 111.096 -179.062 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 29' ' ' MET . . . . . . . . . . . . . 19.2 ptp -81.34 -29.53 34.09 Favored 'General case' 0 C--N 1.331 -0.236 0 C-N-CA 120.85 -0.34 . . . . 10.0 111.086 179.641 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 30' ' ' LEU . . . . . . . . . . . . . 11.0 tp -64.1 -47.06 81.49 Favored 'General case' 0 C--O 1.235 0.31 0 CA-C-O 120.952 0.406 . . . . 10.0 110.452 179.631 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 31' ' ' GLU . . . . . 0.454 ' HA ' ' OE2' ' C' ' 34' ' ' GLU . 38.3 mt-10 -64.13 -22.19 66.84 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.448 -0.796 . . . . 10.0 111.062 -179.626 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 32' ' ' LYS . . . . . 0.434 ' HG3' ' O ' ' C' ' 28' ' ' GLU . 93.3 mttt -82.06 -28.68 32.29 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.112 0.482 . . . . 10.0 110.744 179.188 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 33' ' ' LEU . . . . . . . . . . . . . 22.9 tp -77.83 -43.67 29.7 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 116.225 -0.443 . . . . 10.0 112.155 -178.653 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 34' ' ' GLU . . . . . 0.454 ' OE2' ' HA ' ' C' ' 31' ' ' GLU . 13.2 pt-20 -58.93 -35.11 72.55 Favored 'General case' 0 C--N 1.33 -0.26 0 N-CA-C 112.335 0.494 . . . . 10.0 112.335 -178.303 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 35' ' ' VAL . . . . . . . . . . . . . 27.7 m -72.52 -32.08 40.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 C-N-CA 120.464 -0.494 . . . . 10.0 110.835 179.556 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 36' ' ' VAL . . . . . . . . . . . . . 42.0 t -66.96 -44.22 88.73 Favored 'Isoleucine or valine' 0 C--O 1.235 0.291 0 CA-C-O 121.103 0.477 . . . . 10.0 110.229 179.533 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 37' ' ' VAL . . . . . . . . . . . . . 59.0 t -59.92 -37.28 71.46 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 115.734 -0.666 . . . . 10.0 109.909 179.128 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 38' ' ' ASN . . . . . 0.457 ' O ' ' HG3' ' C' ' 42' ' ' GLU . 2.4 t30 -63.14 -40.14 96.72 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.025 -0.534 . . . . 10.0 110.858 179.628 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 39' ' ' GLU . . . . . 0.528 ' O ' ' HG3' ' C' ' 43' ' ' GLU . 2.9 mt-10 -61.99 -43.77 98.14 Favored 'General case' 0 CA--C 1.521 -0.156 0 N-CA-C 109.335 -0.617 . . . . 10.0 109.335 178.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 40' ' ' ARG . . . . . 0.583 ' HD2' ' OE1' ' C' ' 43' ' ' GLU . 8.3 mmm180 -63.94 -34.37 77.82 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.682 -0.69 . . . . 10.0 109.612 178.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 41' ' ' ARG . . . . . . . . . . . . . 11.3 mmm180 -62.83 -46.49 87.71 Favored 'General case' 0 C--N 1.332 -0.167 0 N-CA-C 109.269 -0.641 . . . . 10.0 109.269 178.268 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 42' ' ' GLU . . . . . 0.457 ' HG3' ' O ' ' C' ' 38' ' ' ASN . 44.4 mt-10 -58.95 -36.05 74.17 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.549 -0.75 . . . . 10.0 111.05 -179.867 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 43' ' ' GLU . . . . . 0.583 ' OE1' ' HD2' ' C' ' 40' ' ' ARG . 46.2 mt-10 -72.01 -47.01 54.98 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.78 0.324 . . . . 10.0 110.749 179.914 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 44' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.326 -0.423 0 CA-C-N 116.078 -0.51 . . . . 10.0 111.082 -179.58 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 5.0 mp . . . . . 0 N--CA 1.481 1.092 0 N-CA-C 109.807 -0.442 . . . . 10.0 109.807 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -72.95 147.57 45.11 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 120.658 0.266 . . . . 10.0 111.529 -179.507 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . 0.413 ' HD2' ' HB2' ' A' ' 45' ' ' SER . 29.2 pttt -64.46 -27.62 69.11 Favored 'General case' 0 CA--C 1.531 0.226 0 CA-C-O 121.046 0.45 . . . . 10.0 110.488 179.528 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -67.82 -29.45 68.61 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.829 -0.623 . . . . 10.0 111.291 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -63.98 -52.21 60.66 Favored 'General case' 0 CA--C 1.52 -0.2 0 CA-C-O 121.121 0.486 . . . . 10.0 109.864 179.878 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 6.8 m-85 -63.11 -39.47 94.77 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.612 -0.722 . . . . 10.0 109.908 179.852 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 40.9 tp -57.82 -46.49 84.62 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.766 -0.652 . . . . 10.0 110.88 179.768 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 38.8 mmm -65.52 -38.34 89.38 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.214 -0.448 . . . . 10.0 111.133 -179.751 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.27 -35.92 81.65 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.277 -0.42 . . . . 10.0 110.285 179.316 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 92.6 mt -80.32 -9.46 59.74 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.018 -0.537 . . . . 10.0 111.429 -179.661 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -72.4 -12.56 61.16 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.449 -0.341 . . . . 10.0 110.549 179.661 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 84.3 mtm-85 -86.58 -7.03 58.7 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.297 -0.411 . . . . 10.0 111.219 -179.866 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 3.9 m -102.71 135.03 45.1 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.421 -0.354 . . . . 10.0 110.43 -179.825 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 1.2 mm-40 -131.24 178.46 6.68 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.352 -0.385 . . . . 10.0 110.529 -179.909 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' THR . . . . . 0.455 ' C ' ' H ' ' A' ' 22' ' ' ASP . 2.1 m 68.31 -5.15 0.95 Allowed 'General case' 0 CA--C 1.539 0.523 0 CA-C-N 115.597 -0.728 . . . . 10.0 112.35 179.299 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 68.1 mt 73.29 -37.34 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.47 0.544 0 C-N-CA 123.308 0.643 . . . . 10.0 111.267 -179.578 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . 0.455 ' H ' ' C ' ' A' ' 20' ' ' THR . 7.5 t70 -49.13 -50.98 34.88 Favored 'General case' 0 N--CA 1.465 0.29 0 C-N-CA 123.438 0.695 . . . . 10.0 111.648 179.332 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 2.2 m -67.54 -34.41 77.03 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.027 -0.533 . . . . 10.0 111.45 -179.884 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.515 ' O ' HG11 ' A' ' 27' ' ' VAL . 31.3 tp -69.5 -42.77 74.29 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.296 -0.411 . . . . 10.0 111.062 -179.344 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 7.8 tp10 -56.27 -47.78 77.91 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.181 0.515 . . . . 10.0 110.788 179.819 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 2.9 mtm105 -75.21 -28.96 60.16 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.148 -0.478 . . . . 10.0 111.838 -179.18 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . 0.515 HG11 ' O ' ' A' ' 24' ' ' LEU . 0.7 OUTLIER -71.74 -38.22 65.33 Favored 'Isoleucine or valine' 0 C--O 1.234 0.262 0 C-N-CA 120.879 -0.328 . . . . 10.0 111.084 -179.196 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . 0.422 HG12 ' O ' ' A' ' 24' ' ' LEU . 45.7 pt -79.1 -28.81 13.7 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.191 0 CA-C-O 120.849 0.357 . . . . 10.0 110.148 179.504 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 13.0 tp10 -70.82 -43.46 68.56 Favored 'General case' 0 N--CA 1.452 -0.346 0 CA-C-N 115.917 -0.583 . . . . 10.0 109.97 179.526 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 27.2 mttp -64.26 -39.73 94.55 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.988 -0.551 . . . . 10.0 110.879 179.425 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 9.9 m120 -75.15 -21.64 58.66 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.356 -0.384 . . . . 10.0 110.938 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 32.8 ttmt -59.35 -33.5 71.23 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.392 -0.367 . . . . 10.0 111.306 -179.623 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 3.8 m-85 -94.76 8.54 42.2 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.777 0.323 . . . . 10.0 110.744 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 59.7 mt-10 -116.27 -24.76 7.81 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.94 0.4 . . . . 10.0 111.052 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 14.7 mt -68.61 155.3 40.27 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.871 -0.604 . . . . 10.0 110.61 179.83 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' SER . . . . . 0.547 ' HB2' ' OD1' ' A' ' 38' ' ' ASN . 0.7 OUTLIER -101.13 15.7 27.87 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 115.952 -0.567 . . . . 10.0 110.531 -178.834 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . 0.444 ' HB2' ' O ' ' A' ' 36' ' ' SER . 98.5 m-20 76.54 -38.96 0.34 Allowed 'General case' 0 C--O 1.257 1.459 0 C-N-CA 124.546 1.138 . . . . 0.0 111.0 177.922 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . 0.547 ' OD1' ' HB2' ' A' ' 36' ' ' SER . 23.5 p-10 -65.53 -33.66 76.44 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 121.027 -1.046 . . . . 10.0 111.68 -179.007 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -93.13 -18.47 22.55 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 109.34 -0.615 . . . . 10.0 109.34 178.743 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 47.0 tp -63.52 -32.4 73.84 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.387 -0.824 . . . . 10.0 110.323 179.771 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -58.06 -44.89 87.73 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 115.767 -0.652 . . . . 10.0 111.515 -179.922 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 31.6 m -87.66 -14.68 9.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.624 0.25 . . . . 10.0 111.143 -179.922 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 59.7 t80 -68.74 -30.63 69.29 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 109.582 -0.525 . . . . 10.0 109.582 178.916 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 11.8 m-85 -62.2 -37.83 86.83 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.711 -0.677 . . . . 10.0 110.711 179.224 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' SER . . . . . 0.457 ' O ' ' HB2' ' A' ' 49' ' ' HIS . 0.0 OUTLIER -64.82 -14.18 58.36 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.074 -0.512 . . . . 10.0 111.224 -179.848 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -103.6 -44.36 5.12 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 109.765 -0.458 . . . . 10.0 109.765 178.893 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -62.72 -55.69 24.36 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.847 -0.615 . . . . 10.0 110.958 179.814 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -60.24 -44.98 94.76 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 121.063 0.459 . . . . 10.0 110.129 179.69 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' HIS . . . . . 0.457 ' HB2' ' O ' ' A' ' 45' ' ' SER . 3.5 t60 -57.73 -47.66 81.81 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.905 -0.589 . . . . 10.0 110.882 -179.751 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 31.6 tpt180 -68.93 -40.55 78.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.329 -0.396 . . . . 10.0 110.733 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 22.4 tp -60.25 -41.8 93.98 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.8 0.333 . . . . 10.0 110.811 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -61.07 -53.11 61.22 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.197 -0.456 . . . . 10.0 111.705 -179.766 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 20.9 pt-20 -67.95 -31.24 70.84 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.242 -0.435 . . . . 10.0 110.874 -179.315 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 16.6 tp -69.86 -38.32 76.38 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.063 -0.517 . . . . 10.0 111.038 -179.754 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 48.1 m -65.67 -39.52 91.41 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.064 0.459 . . . . 10.0 110.419 179.708 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 60.9 mmm -83.59 -7.11 59.58 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.124 -0.489 . . . . 10.0 110.32 179.51 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 33.9 t30 58.4 30.36 19.52 Favored 'General case' 0 N--CA 1.461 0.121 0 CA-C-N 115.42 -0.809 . . . . 10.0 110.228 -179.616 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -142.89 123.29 13.9 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.44 -0.8 . . . . 10.0 110.046 -179.216 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 8.5 mp -70.56 133.48 46.79 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.494 -0.321 . . . . 10.0 110.554 -179.803 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 40.3 m-85 -139.09 127.35 22.69 Favored 'General case' 0 C--O 1.238 0.474 0 CA-C-O 120.906 0.384 . . . . 10.0 110.552 -179.741 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 19.2 p-10 -65.69 -42.06 91.68 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.138 -0.483 . . . . 10.0 109.971 179.608 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 38.0 mttp -114.92 113.91 24.79 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 109.154 -0.684 . . . . 10.0 109.154 178.276 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.438 HG22 ' CZ2' ' A' ' 68' ' ' TRP . 45.6 mm -76.96 131.71 72.6 Favored Pre-proline 0 C--N 1.319 -0.732 0 CA-C-N 115.855 -0.611 . . . . 10.0 111.678 -178.492 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . 0.4 ' HD3' ' HA ' ' A' ' 63' ' ' ILE . 10.4 Cg_exo -70.55 137.76 33.84 Favored 'Trans proline' 0 C--N 1.349 0.599 0 C-N-CA 122.552 2.168 . . . . 10.0 111.347 178.44 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -71.36 6.77 1.59 Allowed 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 112.961 0.726 . . . . 10.0 112.961 -178.132 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 88.6 p -117.88 -7.12 10.97 Favored 'General case' 0 C--O 1.245 0.855 0 O-C-N 121.689 -0.632 . . . . 0.0 110.987 -179.865 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 5.1 p -73.93 -20.68 17.82 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.776 0 CA-C-O 121.053 0.454 . . . . 10.0 111.532 -178.05 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' TRP . . . . . 0.438 ' CZ2' HG22 ' A' ' 63' ' ' ILE . 63.0 m95 -65.67 -17.09 64.35 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.003 -0.544 . . . . 10.0 111.397 -179.278 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 2.2 tppp? -73.27 -18.16 61.25 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.011 0.434 . . . . 10.0 110.722 179.534 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 81.1 m-85 -99.95 9.72 42.47 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.467 -0.333 . . . . 10.0 111.133 -179.41 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 13.2 mt -122.47 138.49 52.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-O 120.577 0.227 . . . . 10.0 110.958 -179.024 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 19.8 mtp85 . . . . . 0 C--O 1.249 1.031 0 CA-C-O 118.511 -0.756 . . . . 10.0 110.135 179.865 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' B' B ' 3' ' ' GLU . . . . . 0.42 ' H ' ' CD ' ' B' ' 3' ' ' GLU . 0.1 OUTLIER . . . . . 0 N--CA 1.456 -0.13 0 CA-C-O 120.855 0.36 . . . . 10.0 110.956 . . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . -62.58 -36.95 84.33 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.01 0.433 . . . . 10.0 111.289 -179.92 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 8.6 mp -74.66 -12.01 60.33 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.084 -0.507 . . . . 10.0 111.338 -179.411 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 6' ' ' LYS . . . . . 0.404 ' HB3' ' O ' ' B' ' 3' ' ' GLU . 27.7 ttpt -68.4 -42.02 79.63 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.963 0.411 . . . . 10.0 110.79 179.879 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 7' ' ' ILE . . . . . . . . . . . . . 22.1 pt -89.98 -7.58 10.78 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 CA-C-N 116.262 -0.426 . . . . 10.0 111.53 -179.062 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 9.8 tp -84.83 -5.15 59.33 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.27 0.557 . . . . 10.0 110.148 -179.908 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 9' ' ' ASN . . . . . . . . . . . . . 53.5 t30 -95.13 -6.54 41.62 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.836 -0.62 . . . . 10.0 111.372 -179.331 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 10' ' ' ASN . . . . . . . . . . . . . 23.0 t-20 -126.93 121.16 30.97 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.979 0.419 . . . . 10.0 111.09 -179.427 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 3.4 pt -63.52 -37.55 79.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 N-CA-C 113.057 0.762 . . . . 10.0 113.057 -178.56 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 12' ' ' ARG . . . . . . . . . . . . . 17.6 mtt180 -62.5 -44.29 96.73 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 112.123 0.416 . . . . 10.0 112.123 -178.035 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 13' ' ' THR . . . . . . . . . . . . . 22.8 m -76.35 -39.61 53.43 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 120.95 0.405 . . . . 10.0 110.822 179.875 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 31.6 tp -63.04 -36.78 84.69 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.92 -0.582 . . . . 10.0 110.919 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 40.6 mtt180 -53.48 -47.58 69.68 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.1 -0.5 . . . . 10.0 111.313 179.904 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 16' ' ' ALA . . . . . . . . . . . . . . . -59.81 -43.25 94.57 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.064 -0.516 . . . . 10.0 112.228 -178.794 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 17' ' ' GLN . . . . . . . . . . . . . 1.3 mp0 -72.04 -25.11 61.66 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 116.413 -0.358 . . . . 10.0 111.351 -179.317 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -79.46 -7.92 58.76 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.464 -0.334 . . . . 10.0 111.259 179.791 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 15.4 mmm180 -79.73 -11.54 59.84 Favored 'General case' 0 C--N 1.327 -0.383 0 C-N-CA 121.085 -0.246 . . . . 10.0 111.011 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 1.5 pt-20 -94.05 -2.48 52.84 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-O 120.935 0.397 . . . . 10.0 111.143 -179.709 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 21' ' ' CYS . . . . . 1.657 ' SG ' ' HB ' ' B' ' 25' ' ' THR . 53.8 t -117.31 147.09 42.9 Favored 'General case' 0 CA--C 1.51 -0.563 0 CA-C-O 120.764 0.316 . . . . 0.0 111.008 178.592 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -81.5 171.08 15.12 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.406 -0.361 . . . . 10.0 110.306 179.09 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 31.5 tp -55.51 -44.45 76.63 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.372 -0.376 . . . . 10.0 111.552 -179.76 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -59.84 -48.58 81.12 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.818 0.342 . . . . 10.0 111.74 -179.86 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 25' ' ' THR . . . . . 1.657 ' HB ' ' SG ' ' B' ' 21' ' ' CYS . 0.2 OUTLIER -61.64 -42.69 99.25 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 121.009 0.433 . . . . 10.0 111.543 -179.542 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' B' B ' 26' ' ' LEU . . . . . 0.618 ' HG ' ' HG ' ' B' ' 21' ' ' CYS . 86.5 mt -65.43 -44.4 87.45 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.091 -0.504 . . . . 10.0 111.009 -179.678 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 27' ' ' GLU . . . . . 0.567 ' O ' ' HG3' ' B' ' 31' ' ' GLU . 6.7 mt-10 -64.56 -44.31 91.15 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.373 -0.376 . . . . 10.0 111.097 179.794 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 5.7 tt0 -56.99 -48.42 78.49 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.275 -0.421 . . . . 10.0 111.699 -178.928 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 29' ' ' MET . . . . . 0.44 ' SD ' HD22 ' C' ' 33' ' ' LEU . 2.2 ppp? -72.97 -30.7 64.03 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.561 -0.29 . . . . 10.0 111.351 -179.231 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 66.3 tp -62.08 -45.32 94.04 Favored 'General case' 0 C--O 1.234 0.251 0 CA-C-O 120.948 0.404 . . . . 10.0 110.447 179.649 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 31' ' ' GLU . . . . . 0.579 ' O ' HG11 ' B' ' 35' ' ' VAL . 24.7 mt-10 -66.55 -32.13 73.29 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.877 -0.602 . . . . 10.0 110.721 -179.74 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 32' ' ' LYS . . . . . 0.594 ' O ' HG21 ' B' ' 35' ' ' VAL . 48.7 mttt -70.92 -37.22 72.9 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.903 0.382 . . . . 10.0 110.758 179.436 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 33' ' ' LEU . . . . . 0.417 ' O ' HG22 ' B' ' 37' ' ' VAL . 48.5 tp -71.77 -38.55 70.33 Favored 'General case' 0 C--N 1.322 -0.591 0 C-N-CA 120.89 -0.324 . . . . 10.0 110.807 179.809 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 34' ' ' GLU . . . . . 0.541 ' HG3' ' N ' ' B' ' 35' ' ' VAL . 0.1 OUTLIER -63.79 -35.26 80.02 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.403 -0.362 . . . . 10.0 111.463 -178.891 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' B' B ' 35' ' ' VAL . . . . . 0.594 HG21 ' O ' ' B' ' 32' ' ' LYS . 13.6 m -69.08 -34.16 62.27 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.175 0 C-N-CA 120.339 -0.544 . . . . 10.0 110.368 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 96.0 t -68.56 -42.08 83.34 Favored 'Isoleucine or valine' 0 C--O 1.232 0.149 0 N-CA-C 109.626 -0.509 . . . . 10.0 109.626 178.835 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 37' ' ' VAL . . . . . 0.417 HG22 ' O ' ' B' ' 33' ' ' LEU . 71.4 t -63.98 -36.93 78.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 N-CA-C 108.891 -0.781 . . . . 10.0 108.891 178.221 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -66.13 -37.48 85.81 Favored 'General case' 0 C--O 1.236 0.346 0 CA-C-N 115.445 -0.798 . . . . 10.0 109.825 178.317 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 39' ' ' GLU . . . . . 0.427 ' HG3' ' O ' ' B' ' 35' ' ' VAL . 89.0 mt-10 -63.85 -47.3 81.29 Favored 'General case' 0 CA--C 1.521 -0.155 0 CA-C-N 115.98 -0.555 . . . . 10.0 109.863 179.026 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 40' ' ' ARG . . . . . 0.45 HH22 ' HA ' ' C' ' 22' ' ' THR . 36.5 mmm-85 -62.79 -42.61 99.78 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.886 -0.597 . . . . 10.0 110.135 178.765 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 41' ' ' ARG . . . . . . . . . . . . . 52.7 mtt180 -56.0 -41.92 75.6 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.197 -0.456 . . . . 10.0 110.256 179.135 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 8.4 tp10 -66.39 -41.22 89.67 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.787 -0.642 . . . . 10.0 110.794 -179.809 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 27.3 mt-10 -66.37 -47.28 73.89 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.283 -0.417 . . . . 10.0 111.189 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -68.22 -31.92 71.76 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 113.228 0.825 . . . . 10.0 113.228 -178.609 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 45' ' ' SER . . . . . . . . . . . . . 10.2 p -75.76 -38.71 58.14 Favored 'General case' 0 C--N 1.324 -0.503 0 C-N-CA 120.668 -0.413 . . . . 10.0 111.073 -179.599 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.435 0 CA-C-O 121.027 0.441 . . . . 10.0 111.342 -179.931 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' C' C ' 3' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.235 0.304 0 CA-C-O 121.043 0.449 . . . . 10.0 111.058 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 4' ' ' ALA . . . . . . . . . . . . . . . -61.98 -36.81 82.58 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.642 -0.708 . . . . 10.0 112.206 -179.171 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 5' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -74.01 -15.03 61.1 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.342 -0.39 . . . . 10.0 111.403 -179.265 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 6' ' ' LYS . . . . . . . . . . . . . 21.6 tptm -82.23 -49.57 9.94 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.712 0.292 . . . . 10.0 111.267 -179.267 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 7' ' ' ILE . . . . . . . . . . . . . 10.3 pt -65.24 -27.17 41.41 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 116.503 -0.317 . . . . 10.0 111.658 -179.236 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 8' ' ' LEU . . . . . . . . . . . . . 3.1 mp -78.81 -7.0 57.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.237 -0.438 . . . . 10.0 111.698 -179.433 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 9' ' ' ASN . . . . . . . . . . . . . 17.3 t-20 -88.38 -10.56 48.94 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.235 0.541 . . . . 10.0 110.272 179.911 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 10' ' ' ASN . . . . . . . . . . . . . 4.7 m120 -101.71 125.41 48.37 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.888 -0.596 . . . . 10.0 109.938 -179.711 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 11' ' ' ILE . . . . . . . . . . . . . 9.8 tp -61.35 -28.07 43.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-N 116.039 -0.528 . . . . 10.0 111.677 -179.174 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 12' ' ' ARG . . . . . . . . . . . . . 38.0 mmt180 -64.68 -55.27 21.1 Favored 'General case' 0 C--O 1.233 0.22 0 CA-C-O 120.725 0.298 . . . . 10.0 111.21 -179.915 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 13' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -70.96 -34.21 71.21 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.446 -0.343 . . . . 10.0 111.704 -179.543 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 14' ' ' LEU . . . . . . . . . . . . . 13.3 tp -58.36 -50.94 71.85 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.096 -0.502 . . . . 10.0 110.779 -179.63 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 15' ' ' ARG . . . . . 0.403 HH11 ' HD2' ' C' ' 15' ' ' ARG . 44.4 ttm180 -68.26 -24.78 64.93 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.886 -0.597 . . . . 10.0 110.715 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 16' ' ' ALA . . . . . . . . . . . . . . . -75.12 -45.74 39.07 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.322 -0.399 . . . . 10.0 111.467 -179.8 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 17' ' ' GLN . . . . . . . . . . . . . 34.5 mt-30 -72.42 -28.09 62.75 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.789 0.328 . . . . 10.0 111.036 -179.881 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 18' ' ' ALA . . . . . . . . . . . . . . . -70.48 -7.67 45.2 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.871 0.367 . . . . 10.0 111.562 -179.89 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 19' ' ' ARG . . . . . . . . . . . . . 48.6 ttm-85 -87.27 -10.82 51.39 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.967 0.413 . . . . 10.0 110.424 179.877 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 20' ' ' GLU . . . . . . . . . . . . . 84.8 mt-10 -78.64 -38.69 39.07 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.049 -0.523 . . . . 10.0 111.011 -179.646 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 21' ' ' CYS . . . . . . . . . . . . . 72.2 m -103.65 164.2 11.82 Favored 'General case' 0 CA--C 1.51 -0.562 0 CA-C-O 121.838 0.828 . . . . 0.0 111.04 -179.647 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 22' ' ' THR . . . . . 0.45 ' HA ' HH22 ' B' ' 40' ' ' ARG . 0.9 OUTLIER -90.05 170.39 10.38 Favored 'General case' 0 N--CA 1.446 -0.627 0 CA-C-N 115.055 -0.975 . . . . 10.0 110.541 179.175 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 49.5 tp -59.36 -30.39 68.36 Favored 'General case' 0 C--N 1.333 -0.125 0 N-CA-C 109.801 -0.444 . . . . 10.0 109.801 179.447 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 24' ' ' GLU . . . . . . . . . . . . . 4.3 tp10 -54.41 -56.17 21.34 Favored 'General case' 0 CA--C 1.532 0.283 0 CA-C-N 115.517 -0.765 . . . . 10.0 110.578 178.72 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 25' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -69.6 -39.32 77.31 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.289 -0.414 . . . . 10.0 111.379 -179.71 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 26' ' ' LEU . . . . . . . . . . . . . 98.8 mt -61.1 -43.04 99.5 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.14 -0.482 . . . . 10.0 111.524 -179.455 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 27' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -65.68 -44.28 86.71 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.516 -0.311 . . . . 10.0 111.669 -179.466 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 28' ' ' GLU . . . . . . . . . . . . . 19.8 tt0 -74.47 -8.88 57.77 Favored 'General case' 0 CA--C 1.536 0.431 0 N-CA-C 111.984 0.365 . . . . 10.0 111.984 -178.443 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 29' ' ' MET . . . . . . . . . . . . . 14.7 ptp -106.04 -27.01 11.4 Favored 'General case' 0 C--N 1.328 -0.337 0 O-C-N 121.863 -0.523 . . . . 10.0 110.273 178.591 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 30' ' ' LEU . . . . . . . . . . . . . 37.9 tp -63.05 -40.3 97.31 Favored 'General case' 0 C--O 1.234 0.239 0 CA-C-O 121.117 0.484 . . . . 10.0 109.869 179.01 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 31' ' ' GLU . . . . . 0.517 ' HA ' ' HG2' ' C' ' 34' ' ' GLU . 11.8 pt-20 -64.97 -29.8 70.75 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.437 -0.802 . . . . 10.0 111.163 -179.933 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 32' ' ' LYS . . . . . 0.441 ' O ' HG22 ' C' ' 36' ' ' VAL . 22.3 mmtp -69.22 -34.01 74.19 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.05 -0.523 . . . . 10.0 110.504 -179.681 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 33' ' ' LEU . . . . . 0.44 HD22 ' SD ' ' B' ' 29' ' ' MET . 63.7 tp -83.1 -45.36 14.07 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 112.165 0.432 . . . . 10.0 112.165 -178.933 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 34' ' ' GLU . . . . . 0.517 ' HG2' ' HA ' ' C' ' 31' ' ' GLU . 7.7 pt-20 -60.01 -33.59 72.2 Favored 'General case' 0 C--O 1.234 0.257 0 C-N-CA 120.819 -0.352 . . . . 10.0 111.701 -178.54 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 35' ' ' VAL . . . . . 0.602 ' O ' ' HG3' ' C' ' 39' ' ' GLU . 9.9 p -72.54 -40.09 62.54 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.459 0 C-N-CA 120.646 -0.422 . . . . 10.0 110.7 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 36' ' ' VAL . . . . . 0.441 HG22 ' O ' ' C' ' 32' ' ' LYS . 40.8 t -61.97 -42.44 94.8 Favored 'Isoleucine or valine' 0 C--O 1.233 0.195 0 CA-C-O 120.962 0.411 . . . . 10.0 110.423 -179.83 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 37' ' ' VAL . . . . . 0.419 HG22 ' O ' ' C' ' 33' ' ' LEU . 46.2 t -64.01 -37.99 81.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 N-CA-C 109.654 -0.499 . . . . 10.0 109.654 179.121 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 38' ' ' ASN . . . . . 0.455 ' O ' ' HB2' ' C' ' 41' ' ' ARG . 1.7 m-20 -65.56 -32.2 73.66 Favored 'General case' 0 C--O 1.233 0.217 0 CA-C-N 115.708 -0.678 . . . . 10.0 110.516 179.356 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 39' ' ' GLU . . . . . 0.602 ' HG3' ' O ' ' C' ' 35' ' ' VAL . 34.9 mt-10 -67.61 -44.71 77.4 Favored 'General case' 0 C--O 1.234 0.275 0 N-CA-C 109.243 -0.651 . . . . 10.0 109.243 178.469 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 40' ' ' ARG . . . . . . . . . . . . . 8.7 mmm180 -64.04 -31.27 72.4 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.166 -0.925 . . . . 10.0 110.473 179.534 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 41' ' ' ARG . . . . . 0.455 ' HB2' ' O ' ' C' ' 38' ' ' ASN . 7.1 mmm180 -55.85 -55.22 35.15 Favored 'General case' 0 C--O 1.234 0.266 0 CA-C-N 115.685 -0.689 . . . . 10.0 110.466 178.925 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 42' ' ' GLU . . . . . . . . . . . . . 91.0 mt-10 -66.8 -38.86 87.33 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.429 -0.805 . . . . 10.0 111.215 -179.193 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 43' ' ' GLU . . . . . . . . . . . . . 28.7 mt-10 -59.17 -43.81 92.14 Favored 'General case' 0 N--CA 1.463 0.213 0 CA-C-O 121.037 0.446 . . . . 10.0 110.908 179.321 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 44' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.326 -0.414 0 CA-C-N 115.747 -0.66 . . . . 10.0 111.806 -179.048 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.481 1.119 0 CA-C-O 120.702 0.286 . . . . 10.0 110.313 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -88.59 152.88 21.55 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.441 -0.345 . . . . 10.0 110.338 179.891 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 15.9 tttt -61.13 -30.15 70.2 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.919 -0.582 . . . . 10.0 109.924 178.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -72.47 -33.56 67.09 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.694 -0.685 . . . . 10.0 111.596 179.521 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 65.3 m-20 -60.69 -53.45 57.24 Favored 'General case' 0 N--CA 1.465 0.278 0 CA-C-N 116.314 -0.403 . . . . 10.0 110.933 -178.807 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 24.7 m-85 -67.91 -33.69 75.19 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.14 -0.482 . . . . 10.0 110.33 -179.833 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 15.4 tp -60.08 -50.36 74.0 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.249 -0.432 . . . . 10.0 110.424 179.508 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -62.24 -38.77 90.51 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.986 0.422 . . . . 10.0 110.706 179.902 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.79 -40.59 95.74 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.87 -0.604 . . . . 10.0 110.766 179.625 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 84.6 mt -84.67 -12.9 52.97 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.205 -0.452 . . . . 10.0 111.512 -179.073 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . 0.528 ' HA ' ' NE ' ' A' ' 50' ' ' ARG . 42.5 mtt180 -77.89 -14.36 59.58 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.934 0.397 . . . . 10.0 110.789 179.781 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 93.9 mtm-85 -83.92 -8.27 59.22 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.366 0.603 . . . . 10.0 109.943 179.092 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 56.7 m -106.51 130.33 54.31 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.58 -0.736 . . . . 10.0 110.047 179.646 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 10.6 mm-40 -119.66 -159.52 0.78 Allowed 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.69 0.281 . . . . 10.0 110.418 -179.437 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' THR . . . . . 0.417 ' O ' ' HB ' ' A' ' 21' ' ' ILE . 2.1 m 71.29 -11.12 0.72 Allowed 'General case' 0 N--CA 1.468 0.463 0 N-CA-C 113.146 0.795 . . . . 10.0 113.146 178.324 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . 0.417 ' HB ' ' O ' ' A' ' 20' ' ' THR . 65.2 mt 72.26 -58.96 0.28 Allowed 'Isoleucine or valine' 0 N--CA 1.47 0.556 0 C-N-CA 122.713 0.405 . . . . 10.0 111.039 -179.824 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 17.9 t70 -56.95 -44.18 82.31 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.123 -0.49 . . . . 10.0 110.646 179.652 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 4.6 m -58.82 -38.98 79.87 Favored 'General case' 0 CA--C 1.532 0.278 0 CA-C-N 115.871 -0.604 . . . . 10.0 110.765 179.303 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.476 ' O ' HG11 ' A' ' 27' ' ' VAL . 18.5 tp -66.22 -44.41 83.9 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.249 -0.432 . . . . 10.0 110.02 179.21 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . 0.418 ' O ' ' HB2' ' A' ' 29' ' ' GLU . 6.8 tp10 -60.27 -30.59 69.55 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.321 0.581 . . . . 10.0 110.874 179.635 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 79.1 mtp180 -82.71 -35.7 26.51 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.928 -0.578 . . . . 10.0 111.946 -179.168 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . 0.476 HG11 ' O ' ' A' ' 24' ' ' LEU . 7.2 p -73.46 -37.11 49.97 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 C-N-CA 120.643 -0.423 . . . . 10.0 110.979 -179.514 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . 0.425 HG12 ' O ' ' A' ' 24' ' ' LEU . 44.5 pt -73.04 -30.04 30.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-O 121.049 0.452 . . . . 10.0 110.018 179.333 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . 0.418 ' HB2' ' O ' ' A' ' 25' ' ' GLU . 22.8 tp10 -62.69 -52.47 63.17 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.779 -0.646 . . . . 10.0 110.302 179.656 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 27.3 mttp -65.49 -39.76 92.3 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.042 -0.526 . . . . 10.0 110.899 179.6 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . 0.487 ' O ' ' HG ' ' A' ' 35' ' ' LEU . 2.2 t30 -58.63 -37.07 75.12 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.739 -0.664 . . . . 10.0 111.772 -179.053 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 41.2 mtmt -64.02 -29.43 70.58 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.694 -0.23 . . . . 10.0 111.6 -179.491 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 8.8 m-85 -79.9 -18.23 51.1 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.06 0.457 . . . . 10.0 110.794 -179.48 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 74.8 mt-10 -97.09 -28.52 14.09 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.893 -0.594 . . . . 10.0 112.562 -178.534 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.487 ' HG ' ' O ' ' A' ' 31' ' ' ASN . 90.0 mt -63.27 159.97 16.77 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.204 0.526 . . . . 10.0 112.073 -179.13 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' SER . . . . . 0.5 ' O ' ' HB2' ' A' ' 37' ' ' ASP . 13.2 m -87.43 1.53 53.15 Favored 'General case' 0 N--CA 1.453 -0.314 0 CA-C-N 115.718 -0.674 . . . . 10.0 111.153 -179.407 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . 0.5 ' HB2' ' O ' ' A' ' 36' ' ' SER . 98.5 m-20 80.8 -26.95 0.14 Allowed 'General case' 0 C--O 1.254 1.325 0 C-N-CA 125.161 1.384 . . . . 0.0 111.041 177.339 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . 0.464 ' OD1' ' HB2' ' A' ' 36' ' ' SER . 4.1 p-10 -74.38 -22.85 58.99 Favored 'General case' 0 C--N 1.322 -0.589 0 O-C-N 121.061 -1.024 . . . . 10.0 111.597 -179.353 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -105.78 -2.7 22.88 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.108 0.48 . . . . 10.0 110.386 -179.942 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 46.3 tp -57.65 -33.36 68.22 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.419 -0.81 . . . . 10.0 111.21 -179.468 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -60.69 -40.59 92.77 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.118 0.485 . . . . 10.0 111.236 179.892 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 3.2 t -72.58 -42.03 63.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.079 -0.51 . . . . 10.0 110.16 -179.818 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 63.1 t80 -62.75 -43.77 97.94 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.492 -0.777 . . . . 10.0 110.685 179.777 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -60.77 -41.8 96.2 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.973 -0.558 . . . . 10.0 110.978 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 23.2 m -61.51 -42.06 98.24 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.983 -0.553 . . . . 10.0 111.465 -179.245 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -71.75 -43.38 65.9 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.243 -0.435 . . . . 10.0 110.922 -179.863 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -60.86 -43.81 97.87 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.203 -0.453 . . . . 10.0 111.235 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 13.7 t70 -59.66 -46.21 89.71 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.702 -0.681 . . . . 10.0 110.643 179.871 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 7.7 t60 -68.03 -35.94 79.1 Favored 'General case' 0 CA--C 1.532 0.282 0 CA-C-N 116.039 -0.528 . . . . 10.0 110.862 -179.762 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . 0.528 ' NE ' ' HA ' ' A' ' 16' ' ' ARG . 23.6 tpt180 -72.03 -41.13 67.86 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.415 -0.357 . . . . 10.0 111.337 -179.793 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 31.0 tp -60.86 -32.43 71.85 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.417 -0.356 . . . . 10.0 110.685 -179.743 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -60.89 -58.32 8.95 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.114 -0.494 . . . . 10.0 111.754 -179.836 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -67.02 -31.03 71.3 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.227 -0.442 . . . . 10.0 111.256 -179.009 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 9.2 tp -66.19 -43.82 85.72 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.31 -0.405 . . . . 10.0 110.492 -179.866 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 16.9 m -70.55 -32.75 70.3 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.986 0.422 . . . . 10.0 110.754 179.751 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 76.5 mmm -78.88 -5.87 54.69 Favored 'General case' 0 C--O 1.236 0.378 0 CA-C-N 115.965 -0.561 . . . . 10.0 111.703 -179.639 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 64.1 t30 59.37 36.54 23.36 Favored 'General case' 0 N--CA 1.463 0.21 0 CA-C-N 115.796 -0.638 . . . . 10.0 111.558 179.449 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 4.5 tppp? -164.54 130.31 2.85 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.328 -0.396 . . . . 10.0 109.971 179.613 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 8.9 mp -74.15 130.43 39.76 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-O 121.083 0.468 . . . . 10.0 111.261 -179.451 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 46.0 m-85 -131.5 132.04 43.91 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.85 -0.614 . . . . 10.0 109.638 179.716 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -64.99 -52.27 57.1 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 108.154 -1.054 . . . . 10.0 108.154 178.547 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 15.0 pttt -113.19 143.61 44.09 Favored 'General case' 0 C--N 1.32 -0.705 0 N-CA-C 107.98 -1.118 . . . . 10.0 107.98 177.85 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 35.8 mm -102.04 117.56 61.15 Favored Pre-proline 0 C--N 1.32 -0.678 0 C-N-CA 120.921 -0.312 . . . . 10.0 110.372 -179.092 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 34.8 Cg_exo -59.83 145.28 98.64 Favored 'Trans proline' 0 CA--C 1.53 0.316 0 C-N-CA 122.958 2.439 . . . . 10.0 112.803 179.555 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -50.12 -49.58 51.33 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 113.587 0.958 . . . . 10.0 113.587 -178.59 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 97.7 p -72.38 -9.23 58.25 Favored 'General case' 0 C--O 1.256 1.403 0 O-C-N 121.412 -0.805 . . . . 0.0 110.945 -177.152 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 38.8 t -82.48 -27.41 8.72 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.198 0 CA-C-N 119.355 0.98 . . . . 10.0 111.135 -178.486 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' TRP . . . . . . . . . . . . . 96.8 m95 -60.17 -20.88 60.58 Favored 'General case' 0 N--CA 1.465 0.292 0 CA-C-O 121.083 0.468 . . . . 10.0 110.85 179.819 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 5.6 tppp? -63.3 -27.28 69.22 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.731 -0.668 . . . . 10.0 111.541 179.884 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 36.5 m-85 -88.38 6.79 35.69 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.989 0.423 . . . . 10.0 111.618 -178.404 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . 0.432 HD11 ' N ' ' A' ' 71' ' ' ILE . 1.8 mp -100.14 130.09 49.86 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 CA-C-N 116.273 -0.421 . . . . 10.0 109.934 179.725 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 64.7 mtp180 . . . . . 0 C--O 1.249 1.075 0 CA-C-O 118.773 -0.632 . . . . 10.0 110.406 -178.977 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.297 0 CA-C-O 120.81 0.338 . . . . 10.0 110.344 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . -72.27 -43.56 64.1 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.951 -0.568 . . . . 10.0 110.636 -179.923 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 5' ' ' LEU . . . . . 0.417 ' HG ' ' SD ' ' C' ' 29' ' ' MET . 10.3 mp -70.8 -10.96 60.62 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.715 -0.675 . . . . 10.0 110.756 -179.617 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 33.8 ttpt -74.09 -43.41 57.76 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 121.109 0.481 . . . . 10.0 110.753 179.816 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 7' ' ' ILE . . . . . . . . . . . . . 16.5 pt -91.46 -17.63 7.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 116.104 -0.498 . . . . 10.0 111.373 -179.271 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -74.53 -15.18 60.87 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.017 -0.538 . . . . 10.0 111.434 -179.815 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 9' ' ' ASN . . . . . . . . . . . . . 45.7 t30 -90.72 12.5 18.91 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 111.887 0.329 . . . . 10.0 111.887 -179.169 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 10' ' ' ASN . . . . . 0.403 ' OD1' ' HB2' ' B' ' 12' ' ' ARG . 12.3 t-20 -140.42 124.39 17.41 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.041 0.448 . . . . 10.0 110.326 179.284 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 51.4 mt -63.52 -36.54 76.72 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 CA-C-N 115.664 -0.698 . . . . 10.0 112.464 -179.065 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 12' ' ' ARG . . . . . 0.403 ' HB2' ' OD1' ' B' ' 10' ' ' ASN . 93.6 mtt180 -59.32 -51.64 69.08 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 111.812 0.301 . . . . 10.0 111.812 -178.878 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 13' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -68.04 -41.31 82.26 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.944 0.402 . . . . 10.0 110.597 179.408 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 12.3 tp -57.39 -43.61 83.79 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.765 -0.652 . . . . 10.0 111.163 -179.338 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 15' ' ' ARG . . . . . 0.452 ' O ' ' HG2' ' B' ' 19' ' ' ARG . 37.4 mtt85 -59.53 -36.11 75.51 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.366 -0.379 . . . . 10.0 111.09 179.674 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 16' ' ' ALA . . . . . . . . . . . . . . . -76.04 -47.61 24.09 Favored 'General case' 0 C--N 1.331 -0.235 0 N-CA-C 112.315 0.487 . . . . 10.0 112.315 -178.839 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 17' ' ' GLN . . . . . . . . . . . . . 1.6 mp0 -68.11 -27.6 66.6 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.774 0.321 . . . . 10.0 111.311 -179.183 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -73.05 -7.96 53.58 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.494 -0.321 . . . . 10.0 111.485 179.551 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 19' ' ' ARG . . . . . 0.452 ' HG2' ' O ' ' B' ' 15' ' ' ARG . 24.6 mmm180 -75.93 -19.07 59.07 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.487 -0.324 . . . . 10.0 110.781 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 1.8 pt-20 -81.19 -9.74 59.74 Favored 'General case' 0 C--N 1.331 -0.234 0 C-N-CA 120.665 -0.414 . . . . 10.0 110.955 -179.617 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 21' ' ' CYS . . . . . 0.559 ' SG ' ' CD2' ' B' ' 26' ' ' LEU . 32.0 p -117.44 168.07 10.71 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-O 121.145 0.498 . . . . 0.0 111.012 179.163 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 13.5 p -98.4 176.37 5.71 Favored 'General case' 0 C--O 1.236 0.379 0 CA-C-N 115.839 -0.619 . . . . 10.0 110.622 179.303 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 23' ' ' LEU . . . . . 0.413 HD11 ' HB3' ' C' ' 40' ' ' ARG . 39.5 tp -60.13 -39.54 86.64 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 121.026 0.441 . . . . 10.0 109.818 179.455 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 24' ' ' GLU . . . . . 0.418 ' O ' ' HB2' ' B' ' 28' ' ' GLU . 41.8 tt0 -60.88 -45.79 93.17 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.576 -0.738 . . . . 10.0 111.092 179.824 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 25' ' ' THR . . . . . 0.482 ' HB ' ' HB2' ' B' ' 21' ' ' CYS . 0.2 OUTLIER -63.82 -39.38 94.1 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.774 0.321 . . . . 10.0 110.404 179.499 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' B' B ' 26' ' ' LEU . . . . . 0.559 ' CD2' ' SG ' ' B' ' 21' ' ' CYS . 46.1 mt -64.62 -47.98 76.57 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.153 -0.476 . . . . 10.0 110.348 179.691 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 27' ' ' GLU . . . . . 0.528 ' OE2' ' HD3' ' C' ' 41' ' ' ARG . 11.2 mt-10 -63.78 -38.69 92.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.912 0.386 . . . . 10.0 110.164 179.085 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 28' ' ' GLU . . . . . 0.461 ' O ' ' HG3' ' B' ' 32' ' ' LYS . 0.0 OUTLIER -59.52 -48.37 81.93 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.742 -0.663 . . . . 10.0 111.295 -179.927 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' B' B ' 29' ' ' MET . . . . . 0.485 ' HG3' ' O ' ' B' ' 26' ' ' LEU . 3.4 ppp? -75.69 -28.16 58.53 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 111.94 0.348 . . . . 10.0 111.94 -178.925 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 55.0 tp -60.34 -45.6 92.87 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.731 0.301 . . . . 10.0 110.627 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 31' ' ' GLU . . . . . 0.448 ' HG3' ' O ' ' B' ' 27' ' ' GLU . 19.5 mt-10 -64.26 -35.84 82.15 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.211 -0.449 . . . . 10.0 110.681 -179.669 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 32' ' ' LYS . . . . . 0.461 ' HG3' ' O ' ' B' ' 28' ' ' GLU . 54.1 mttm -65.96 -45.13 82.86 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.06 -0.518 . . . . 10.0 111.052 -179.691 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 33' ' ' LEU . . . . . 0.492 ' O ' HG22 ' B' ' 37' ' ' VAL . 20.7 tp -71.4 -36.1 71.26 Favored 'General case' 0 C--N 1.322 -0.596 0 C-N-CA 120.565 -0.454 . . . . 10.0 110.11 179.665 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -57.94 -50.55 72.99 Favored 'General case' 0 C--O 1.234 0.241 0 CA-C-N 116.038 -0.528 . . . . 10.0 110.917 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 35' ' ' VAL . . . . . . . . . . . . . 35.2 m -62.8 -35.04 69.14 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.23 0 C-N-CA 121.103 -0.239 . . . . 10.0 111.126 -179.892 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 71.2 t -67.1 -42.82 88.78 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-O 120.854 0.359 . . . . 10.0 110.177 179.443 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 37' ' ' VAL . . . . . 0.492 HG22 ' O ' ' B' ' 33' ' ' LEU . 88.5 t -64.31 -40.56 89.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 N-CA-C 109.671 -0.492 . . . . 10.0 109.671 178.918 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 64.1 t30 -63.73 -43.6 96.04 Favored 'General case' 0 C--N 1.33 -0.269 0 N-CA-C 109.452 -0.573 . . . . 10.0 109.452 178.726 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 39' ' ' GLU . . . . . 0.437 ' CD ' HH21 ' C' ' 15' ' ' ARG . 41.8 mt-10 -60.61 -39.39 88.0 Favored 'General case' 0 C--O 1.233 0.229 0 CA-C-N 115.772 -0.649 . . . . 10.0 110.547 178.88 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 10.0 mmm-85 -70.06 -41.47 74.14 Favored 'General case' 0 C--N 1.33 -0.255 0 N-CA-C 109.843 -0.428 . . . . 10.0 109.843 178.6 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 41' ' ' ARG . . . . . . . . . . . . . 93.7 mtt180 -58.6 -42.81 88.98 Favored 'General case' 0 C--N 1.331 -0.213 0 N-CA-C 109.248 -0.649 . . . . 10.0 109.248 178.533 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 8.0 tp10 -55.76 -48.38 75.37 Favored 'General case' 0 CA--C 1.527 0.073 0 CA-C-N 115.611 -0.722 . . . . 10.0 110.155 178.913 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -63.7 -35.15 79.62 Favored 'General case' 0 C--O 1.234 0.288 0 CA-C-N 116.221 -0.445 . . . . 10.0 110.794 179.743 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -68.52 -46.56 69.24 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.668 -0.697 . . . . 10.0 111.083 179.913 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 45' ' ' SER . . . . . . . . . . . . . 2.8 p -74.58 -19.93 60.13 Favored 'General case' 0 C--N 1.331 -0.203 0 N-CA-C 111.857 0.317 . . . . 10.0 111.857 -179.389 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.489 0 CA-C-O 121.039 0.447 . . . . 10.0 111.266 179.789 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' C' C ' 3' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.468 0.429 0 N-CA-C 112.255 0.465 . . . . 10.0 112.255 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 4' ' ' ALA . . . . . . . . . . . . . . . -77.64 -12.16 59.94 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 120.925 0.393 . . . . 10.0 111.697 -179.001 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 5' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -81.9 -34.56 29.91 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 120.804 0.335 . . . . 10.0 111.362 -179.277 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 6' ' ' LYS . . . . . . . . . . . . . 5.8 tptm -62.3 -38.75 90.58 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.197 -0.456 . . . . 10.0 111.985 -179.024 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 7' ' ' ILE . . . . . . . . . . . . . 41.5 pt -80.13 -22.17 11.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-N 116.414 -0.357 . . . . 10.0 111.414 -178.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 8' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -78.88 -21.2 47.82 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.074 0.464 . . . . 10.0 110.497 -179.633 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 9' ' ' ASN . . . . . . . . . . . . . 14.1 t-20 -89.53 5.15 46.78 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.636 0.731 . . . . 10.0 109.812 179.214 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 10' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -116.01 106.71 14.08 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.841 -0.618 . . . . 10.0 110.564 -179.763 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 11' ' ' ILE . . . . . . . . . . . . . 2.5 tp -56.17 -29.3 27.14 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.37 0 CA-C-N 116.28 -0.418 . . . . 10.0 111.138 179.865 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 12' ' ' ARG . . . . . . . . . . . . . 29.8 mmt180 -63.12 -55.77 22.5 Favored 'General case' 0 C--N 1.333 -0.123 0 CA-C-O 121.038 0.447 . . . . 10.0 110.722 179.891 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 13' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -68.51 -34.43 75.88 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.832 -0.622 . . . . 10.0 110.697 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 14' ' ' LEU . . . . . . . . . . . . . 12.9 tp -62.76 -45.9 90.55 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.748 -0.66 . . . . 10.0 110.808 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 15' ' ' ARG . . . . . 0.437 HH21 ' CD ' ' B' ' 39' ' ' GLU . 72.3 mtt180 -66.4 -14.48 62.21 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.444 -0.343 . . . . 10.0 111.379 179.841 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 16' ' ' ALA . . . . . . . . . . . . . . . -90.26 -54.74 3.88 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.648 0.261 . . . . 10.0 111.359 -179.888 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 17' ' ' GLN . . . . . . . . . . . . . 39.6 tt0 -71.36 -16.86 62.44 Favored 'General case' 0 CA--C 1.532 0.273 0 N-CA-C 111.814 0.301 . . . . 10.0 111.814 -178.582 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 18' ' ' ALA . . . . . . . . . . . . . . . -68.11 -12.63 61.22 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.209 0.528 . . . . 10.0 110.939 179.542 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 19' ' ' ARG . . . . . . . . . . . . . 29.6 mtt180 -95.8 2.99 54.12 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.157 -0.474 . . . . 10.0 110.305 179.834 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 20' ' ' GLU . . . . . . . . . . . . . 23.1 tt0 -86.21 -5.69 59.14 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.794 -0.639 . . . . 10.0 110.14 179.855 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 21' ' ' CYS . . . . . . . . . . . . . 73.0 m -142.26 169.51 17.45 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 121.324 0.583 . . . . 0.0 111.014 179.653 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 22' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -85.77 172.15 11.03 Favored 'General case' 0 N--CA 1.451 -0.385 0 CA-C-N 115.9 -0.591 . . . . 10.0 111.01 179.723 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 27.2 tp -61.52 -39.9 92.66 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.16 -0.473 . . . . 10.0 111.772 -179.422 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 24' ' ' GLU . . . . . . . . . . . . . 18.7 tt0 -54.76 -51.33 66.02 Favored 'General case' 0 N--CA 1.463 0.195 0 CA-C-O 120.679 0.276 . . . . 10.0 111.531 -179.197 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 25' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -60.95 -45.14 95.89 Favored 'General case' 0 N--CA 1.452 -0.355 0 CA-C-N 116.416 -0.356 . . . . 10.0 110.946 -179.734 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 26' ' ' LEU . . . . . . . . . . . . . 95.2 mt -62.81 -39.37 94.06 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.163 -0.471 . . . . 10.0 111.172 -179.738 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 27' ' ' GLU . . . . . . . . . . . . . 18.1 tt0 -71.67 -50.39 30.94 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.938 -0.574 . . . . 10.0 111.571 -179.263 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 28' ' ' GLU . . . . . . . . . . . . . 27.6 tt0 -57.16 -41.92 80.09 Favored 'General case' 0 N--CA 1.464 0.239 0 CA-C-O 120.708 0.29 . . . . 10.0 111.172 -179.225 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 29' ' ' MET . . . . . 0.417 ' SD ' ' HG ' ' B' ' 5' ' ' LEU . 19.6 ptp -76.29 -26.87 56.32 Favored 'General case' 0 C--N 1.329 -0.302 0 C-N-CA 120.681 -0.407 . . . . 10.0 111.269 -179.565 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 30' ' ' LEU . . . . . . . . . . . . . 12.8 tp -65.3 -42.67 92.84 Favored 'General case' 0 C--N 1.331 -0.208 0 N-CA-C 110.015 -0.365 . . . . 10.0 110.015 179.132 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 31' ' ' GLU . . . . . . . . . . . . . 27.2 mt-10 -60.99 -36.63 79.96 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.665 -0.698 . . . . 10.0 110.048 179.467 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 32' ' ' LYS . . . . . 0.58 ' O ' HG22 ' C' ' 36' ' ' VAL . 34.3 mttt -71.99 -22.57 61.41 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.845 -0.616 . . . . 10.0 110.761 179.84 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 33' ' ' LEU . . . . . 0.424 ' O ' HG22 ' C' ' 37' ' ' VAL . 30.5 tp -83.54 -45.42 13.58 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.45 -0.341 . . . . 10.0 110.507 179.45 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 34' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -61.18 -33.22 73.11 Favored 'General case' 0 C--N 1.333 -0.125 0 CA-C-N 116.243 -0.435 . . . . 10.0 111.39 -178.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 35' ' ' VAL . . . . . . . . . . . . . 29.8 m -73.16 -32.61 39.19 Favored 'Isoleucine or valine' 0 C--O 1.228 -0.052 0 C-N-CA 120.501 -0.48 . . . . 10.0 110.786 179.507 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 36' ' ' VAL . . . . . 0.58 HG22 ' O ' ' C' ' 32' ' ' LYS . 71.2 t -69.11 -42.79 81.95 Favored 'Isoleucine or valine' 0 C--O 1.234 0.266 0 N-CA-C 109.144 -0.687 . . . . 10.0 109.144 179.11 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 37' ' ' VAL . . . . . 0.424 HG22 ' O ' ' C' ' 33' ' ' LEU . 38.3 t -66.3 -36.86 78.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 115.542 -0.754 . . . . 10.0 109.046 178.393 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 38' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -66.52 -43.28 85.66 Favored 'General case' 0 CA--C 1.521 -0.144 0 CA-C-N 115.645 -0.707 . . . . 10.0 110.277 179.261 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 39' ' ' GLU . . . . . . . . . . . . . 35.8 mt-10 -55.6 -46.55 77.3 Favored 'General case' 0 CA--C 1.518 -0.255 0 N-CA-C 108.981 -0.748 . . . . 10.0 108.981 178.377 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 40' ' ' ARG . . . . . 0.413 ' HB3' HD11 ' B' ' 23' ' ' LEU . 0.0 OUTLIER -60.94 -44.75 96.8 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 114.881 -1.054 . . . . 10.0 110.169 178.931 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' C' C ' 41' ' ' ARG . . . . . 0.528 ' HD3' ' OE2' ' B' ' 27' ' ' GLU . 7.5 mmm180 -58.71 -52.54 65.27 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.808 -0.633 . . . . 10.0 111.316 179.879 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 42' ' ' GLU . . . . . . . . . . . . . 31.0 mt-10 -59.51 -47.03 87.09 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.652 -0.703 . . . . 10.0 111.182 -179.595 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 43' ' ' GLU . . . . . . . . . . . . . 54.7 mm-40 -63.02 -43.9 97.45 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.181 -0.463 . . . . 10.0 111.145 -179.529 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 44' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 . . . . . 0 C--N 1.327 -0.405 0 CA-C-N 116.144 -0.48 . . . . 10.0 110.771 179.788 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 2.1 mp . . . . . 0 N--CA 1.48 1.037 0 N-CA-C 110.04 -0.355 . . . . 10.0 110.04 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -80.71 153.93 27.57 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.129 -0.487 . . . . 10.0 111.65 -179.367 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 80.5 tttt -58.87 -39.76 82.34 Favored 'General case' 0 C--O 1.236 0.355 0 CA-C-N 115.939 -0.573 . . . . 10.0 110.852 179.909 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -66.52 -30.77 71.17 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.712 -0.676 . . . . 10.0 111.726 -179.944 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 48.2 m-20 -65.73 -45.66 81.82 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.193 -0.458 . . . . 10.0 110.354 -179.821 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 62.1 m-85 -66.51 -40.08 89.02 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 109.518 -0.549 . . . . 10.0 109.518 178.756 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 58.6 tp -56.95 -46.16 82.29 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 114.993 -1.003 . . . . 10.0 111.276 179.901 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 87.6 mmm -63.82 -38.18 90.12 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.907 0.384 . . . . 10.0 110.922 -179.888 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.46 -26.39 66.36 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.152 -0.476 . . . . 10.0 110.662 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 91.0 mt -94.67 -8.99 36.28 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.11 -0.495 . . . . 10.0 111.509 -179.643 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -69.1 -24.29 64.1 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.952 0.406 . . . . 10.0 110.558 -179.708 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 61.7 mtm-85 -76.7 -27.26 55.42 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.03 -0.532 . . . . 10.0 110.233 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 8.5 m -82.88 122.4 28.19 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.788 -0.642 . . . . 10.0 111.058 -179.256 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . 0.413 ' C ' ' H ' ' A' ' 21' ' ' ILE . 0.0 OUTLIER -125.52 -165.76 1.46 Allowed 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.727 -0.67 . . . . 10.0 109.225 179.35 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 5.4 m 73.54 -18.39 0.38 Allowed 'General case' 0 CA--C 1.541 0.61 0 N-CA-C 112.385 0.513 . . . . 10.0 112.385 179.062 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . 0.413 ' H ' ' C ' ' A' ' 19' ' ' GLN . 81.5 mt 74.45 -48.85 0.19 Allowed 'Isoleucine or valine' 0 N--CA 1.47 0.575 0 C-N-CA 123.32 0.648 . . . . 10.0 111.187 -179.533 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 20.1 t70 -52.45 -49.67 64.16 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.705 -0.68 . . . . 10.0 111.382 179.772 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -74.19 -26.43 60.28 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.449 -0.342 . . . . 10.0 111.416 179.77 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 49.6 tp -67.51 -38.55 84.44 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.208 -0.451 . . . . 10.0 110.748 -179.71 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 7.0 mt-10 -74.61 -7.4 53.05 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.465 -0.334 . . . . 10.0 111.28 179.847 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 5.0 mtt85 -91.18 -39.9 11.86 Favored 'General case' 0 C--N 1.328 -0.351 0 C-N-CA 121.044 -0.262 . . . . 10.0 111.194 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 9.3 p -67.53 -38.25 80.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 120.957 0.408 . . . . 10.0 110.302 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 46.8 pt -70.47 -27.43 31.38 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-O 121.136 0.493 . . . . 10.0 109.962 179.025 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 34.2 tp10 -69.68 -43.14 73.11 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.637 -0.71 . . . . 10.0 109.354 178.805 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 6.8 tttp -67.52 -48.56 66.67 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.654 -0.703 . . . . 10.0 110.557 179.518 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . 0.548 ' O ' ' HG ' ' A' ' 35' ' ' LEU . 0.9 OUTLIER -60.37 -28.81 68.49 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.435 -0.802 . . . . 10.0 111.385 -179.396 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 28.3 ttmt -53.5 -40.96 65.82 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.842 0.353 . . . . 10.0 111.601 179.825 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 34.9 m-85 -90.9 -23.53 20.47 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.81 0.338 . . . . 10.0 111.319 -179.157 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 21.9 mt-10 -78.03 -35.96 49.17 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.494 -0.321 . . . . 10.0 111.532 -179.253 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.548 ' HG ' ' O ' ' A' ' 31' ' ' ASN . 92.1 mt -66.53 165.01 15.36 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.928 0.394 . . . . 10.0 111.289 -179.136 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' SER . . . . . 0.418 ' O ' ' HB2' ' A' ' 37' ' ' ASP . 67.0 m -93.42 8.92 38.64 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.093 -0.503 . . . . 10.0 110.977 -179.84 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . 0.418 ' HB2' ' O ' ' A' ' 36' ' ' SER . 98.4 m-20 75.32 -14.29 0.78 Allowed 'General case' 0 C--O 1.261 1.663 0 C-N-CA 124.554 1.142 . . . . 0.0 111.064 177.136 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 2.2 p-10 -86.19 -30.16 22.64 Favored 'General case' 0 C--N 1.328 -0.347 0 O-C-N 119.77 -1.831 . . . . 10.0 110.959 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -93.98 -2.78 52.59 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.271 0.558 . . . . 10.0 110.122 -179.842 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 32.7 tp -60.35 -25.71 66.04 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.438 -0.801 . . . . 10.0 110.932 179.799 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -61.72 -54.51 41.59 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.973 -0.558 . . . . 10.0 111.397 -179.67 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 5.4 m -73.5 -28.8 25.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-O 120.827 0.346 . . . . 10.0 110.995 -179.493 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 81.5 t80 -66.89 -40.65 87.82 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.111 -0.495 . . . . 10.0 110.132 179.378 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -65.13 -40.02 93.87 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.032 -0.531 . . . . 10.0 110.33 179.224 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -61.18 -33.9 74.18 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.161 -0.472 . . . . 10.0 110.14 179.306 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -73.27 -46.22 51.22 Favored 'General case' 0 N--CA 1.454 -0.237 0 CA-C-N 116.043 -0.526 . . . . 10.0 110.38 179.516 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -61.83 -46.55 89.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.907 -0.588 . . . . 10.0 110.109 179.295 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -54.69 -51.47 65.41 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.537 -0.756 . . . . 10.0 110.077 178.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' HIS . . . . . 0.419 ' O ' ' HG2' ' A' ' 53' ' ' GLU . 2.9 t60 -62.03 -44.63 96.3 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.104 -0.953 . . . . 10.0 111.345 -179.027 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 25.2 tpt180 -67.26 -40.88 86.28 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.353 -0.385 . . . . 10.0 111.606 -179.15 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 53.8 tp -67.3 -38.55 85.16 Favored 'General case' 0 C--N 1.323 -0.559 0 C-N-CA 121.069 -0.252 . . . . 10.0 110.606 -179.789 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -60.27 -49.12 78.88 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.343 -0.39 . . . . 10.0 111.935 -179.657 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . 0.419 ' HG2' ' O ' ' A' ' 49' ' ' HIS . 10.4 pt-20 -68.99 -32.48 72.08 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 120.767 0.318 . . . . 10.0 110.854 -179.85 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 13.8 tp -71.86 -34.12 68.97 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.414 -0.357 . . . . 10.0 110.229 179.511 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 86.5 m -68.67 -36.11 78.11 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 121.233 0.54 . . . . 10.0 109.973 178.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 76.5 mmm -83.7 -5.84 59.29 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.718 -0.674 . . . . 10.0 110.29 179.023 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 6.3 t30 55.4 46.75 22.67 Favored 'General case' 0 C--O 1.234 0.258 0 CA-C-N 115.487 -0.779 . . . . 10.0 110.701 -179.566 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 4.5 tppp? -166.23 126.82 1.72 Allowed 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.462 -0.79 . . . . 10.0 109.171 179.696 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 7.1 mp -68.24 127.29 32.4 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.231 0.538 . . . . 10.0 110.624 -179.881 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 25.7 m-85 -126.05 128.25 47.12 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.623 -0.717 . . . . 10.0 110.794 -179.403 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 14.4 t70 -66.78 -47.03 73.42 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 107.608 -1.256 . . . . 10.0 107.608 177.655 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 43.0 tptt -116.3 123.41 47.6 Favored 'General case' 0 N--CA 1.449 -0.481 0 CA-C-N 114.532 -1.213 . . . . 10.0 108.354 178.17 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 45.4 mm -82.93 123.09 78.16 Favored Pre-proline 0 C--N 1.322 -0.627 0 CA-C-N 116.542 -0.299 . . . . 10.0 111.416 -179.096 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 31.6 Cg_exo -59.12 140.98 97.49 Favored 'Trans proline' 0 C--N 1.349 0.601 0 C-N-CA 122.216 1.944 . . . . 10.0 110.978 178.158 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -55.21 -35.72 65.2 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 112.996 0.739 . . . . 10.0 112.996 -178.061 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 97.6 p -73.41 -7.63 52.51 Favored 'General case' 0 C--O 1.26 1.631 0 O-C-N 121.746 -0.596 . . . . 0.0 111.023 -176.588 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 89.4 t -83.33 -28.14 7.75 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.934 0 CA-C-N 120.11 1.323 . . . . 10.0 111.435 -179.059 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' TRP . . . . . 0.403 ' HB3' ' CD1' ' B' ' 11' ' ' ILE . 60.5 m95 -61.5 -19.74 62.41 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 112.179 0.437 . . . . 10.0 112.179 -178.895 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 20.5 tptp -68.07 -22.15 64.94 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.729 0.3 . . . . 10.0 111.157 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 80.9 m-85 -99.88 10.03 42.0 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.444 -0.343 . . . . 10.0 111.716 -178.889 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -77.46 138.34 20.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-O 121.024 0.44 . . . . 10.0 110.013 179.508 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.247 0.936 0 CA-C-O 118.04 -0.981 . . . . 10.0 108.866 179.351 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.532 0.279 0 CA-C-O 120.565 0.221 . . . . 10.0 111.022 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . -73.71 -49.41 25.83 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.845 0.355 . . . . 10.0 111.129 -179.601 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 8.6 mp -66.58 -11.28 52.46 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.918 -0.583 . . . . 10.0 111.248 -179.59 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 84.0 tttt -81.11 -47.94 12.83 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.94 -0.573 . . . . 10.0 110.912 -179.742 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 7' ' ' ILE . . . . . . . . . . . . . 31.0 pt -79.72 -24.81 12.13 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 CA-C-N 116.166 -0.47 . . . . 10.0 111.089 -179.805 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 8' ' ' LEU . . . . . 0.446 HD21 ' SD ' ' C' ' 29' ' ' MET . 35.2 tp -77.13 -12.7 59.98 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.977 -0.556 . . . . 10.0 110.97 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 9' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 -79.92 -18.38 50.68 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.371 -0.377 . . . . 10.0 111.384 -179.48 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 10' ' ' ASN . . . . . 0.41 ' OD1' ' HB2' ' B' ' 12' ' ' ARG . 23.7 t-20 -118.09 136.24 53.7 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.272 0.558 . . . . 10.0 110.539 -179.869 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 11' ' ' ILE . . . . . 0.403 ' CD1' ' HB3' ' A' ' 68' ' ' TRP . 3.3 mt -75.95 -27.22 18.1 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 N-CA-C 113.2 0.815 . . . . 10.0 113.2 -177.882 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 12' ' ' ARG . . . . . 0.41 ' HB2' ' OD1' ' B' ' 10' ' ' ASN . 93.1 mtt180 -62.81 -37.77 88.08 Favored 'General case' 0 N--CA 1.465 0.321 0 CA-C-O 120.792 0.329 . . . . 10.0 110.841 -179.242 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 13' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -79.06 -41.79 27.94 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.167 0.508 . . . . 10.0 110.501 179.121 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 28.1 tp -62.82 -41.31 99.26 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.566 -0.743 . . . . 10.0 111.758 -179.154 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 15' ' ' ARG . . . . . 0.404 ' O ' ' HG2' ' B' ' 19' ' ' ARG . 17.3 mtt180 -58.27 -29.93 66.19 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.725 -0.216 . . . . 10.0 111.413 -179.801 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 16' ' ' ALA . . . . . . . . . . . . . . . -90.86 -38.98 12.59 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.117 0.484 . . . . 10.0 111.084 -179.746 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 17' ' ' GLN . . . . . . . . . . . . . 14.4 tp60 -64.03 -34.4 77.92 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.066 -0.516 . . . . 10.0 111.439 -179.617 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -79.88 4.17 17.52 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 112.273 0.472 . . . . 10.0 112.273 -179.004 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 19' ' ' ARG . . . . . 0.404 ' HG2' ' O ' ' B' ' 15' ' ' ARG . 25.4 mmm180 -85.48 -16.49 39.41 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 122.2 -0.313 . . . . 10.0 111.342 -179.506 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -95.45 7.37 46.43 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.099 0.476 . . . . 10.0 110.703 -179.761 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 21' ' ' CYS . . . . . . . . . . . . . 79.0 m -127.8 138.9 52.89 Favored 'General case' 0 CA--C 1.51 -0.561 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.009 178.427 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -68.62 161.95 26.96 Favored 'General case' 0 C--N 1.313 -1.015 0 O-C-N 124.184 0.927 . . . . 10.0 111.37 179.007 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 17.9 tp -57.92 -39.95 79.2 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.342 -0.39 . . . . 10.0 110.427 179.67 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 7.7 tt0 -53.68 -53.43 52.18 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.788 -0.642 . . . . 10.0 111.103 179.746 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -64.62 -38.07 89.75 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.127 -0.488 . . . . 10.0 111.635 -179.354 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 26' ' ' LEU . . . . . 0.403 ' O ' ' HG2' ' B' ' 29' ' ' MET . 83.2 mt -66.09 -50.58 63.6 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.843 -0.617 . . . . 10.0 111.433 -179.271 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 27' ' ' GLU . . . . . 0.461 ' OE1' ' HD3' ' C' ' 41' ' ' ARG . 27.3 tt0 -65.02 -38.27 90.34 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.027 0.441 . . . . 10.0 110.18 -179.864 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 5.9 tm-20 -61.36 -45.87 92.6 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.799 -0.637 . . . . 10.0 110.646 179.897 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 29' ' ' MET . . . . . 0.403 ' HG2' ' O ' ' B' ' 26' ' ' LEU . 16.9 ptp -72.02 -30.21 64.98 Favored 'General case' 0 N--CA 1.463 0.192 0 CA-C-O 121.033 0.444 . . . . 10.0 110.058 179.63 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 15.6 tp -63.25 -46.28 87.64 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.016 -0.538 . . . . 10.0 110.061 178.75 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -60.31 -33.47 72.42 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.83 -0.623 . . . . 10.0 110.637 179.709 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -68.27 -39.45 82.16 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.175 -0.466 . . . . 10.0 110.495 179.552 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 22.6 tp -71.93 -34.88 69.43 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 109.657 -0.498 . . . . 10.0 109.657 179.024 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 17.5 tp10 -57.64 -51.71 68.41 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.809 -0.632 . . . . 10.0 110.79 179.229 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 35' ' ' VAL . . . . . . . . . . . . . 26.4 m -65.95 -31.27 52.96 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.305 0 CA-C-N 116.696 -0.229 . . . . 10.0 111.577 -179.466 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 42.5 t -69.92 -47.3 70.1 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-O 120.955 0.407 . . . . 10.0 110.21 179.566 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 87.0 t -66.68 -36.29 76.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-O 121.063 0.459 . . . . 10.0 109.96 179.089 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 27.3 t-20 -60.98 -39.45 89.67 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.13 -0.486 . . . . 10.0 109.989 178.721 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 39' ' ' GLU . . . . . 0.418 ' O ' ' HG3' ' B' ' 43' ' ' GLU . 23.7 mt-10 -63.52 -49.73 72.34 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.958 -0.564 . . . . 10.0 109.777 178.654 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 20.5 mmm-85 -58.04 -36.08 72.23 Favored 'General case' 0 C--O 1.232 0.148 0 CA-C-N 115.974 -0.557 . . . . 10.0 110.41 179.575 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 41' ' ' ARG . . . . . . . . . . . . . 69.4 mtt180 -58.71 -46.46 87.28 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.787 -0.642 . . . . 10.0 109.913 178.756 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -70.34 -39.74 74.53 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.4 -0.818 . . . . 10.0 110.906 -179.631 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 43' ' ' GLU . . . . . 0.418 ' HG3' ' O ' ' B' ' 39' ' ' GLU . 78.8 mt-10 -58.16 -39.53 79.08 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.926 0.393 . . . . 10.0 111.576 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -77.7 -45.91 23.43 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 116.15 -0.477 . . . . 10.0 112.279 -178.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 45' ' ' SER . . . . . . . . . . . . . 13.4 p -69.69 -36.67 76.17 Favored 'General case' 0 C--N 1.327 -0.413 0 N-CA-C 112.267 0.469 . . . . 10.0 112.267 -178.494 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.322 0 N-CA-C 111.854 0.316 . . . . 10.0 111.854 -179.273 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' C' C ' 3' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.521 -0.162 0 N-CA-C 109.58 -0.526 . . . . 10.0 109.58 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 4' ' ' ALA . . . . . . . . . . . . . . . -66.68 -34.8 78.65 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.576 -0.738 . . . . 10.0 110.8 179.699 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 5' ' ' LEU . . . . . . . . . . . . . 64.3 mt -79.63 -10.64 59.82 Favored 'General case' 0 CA--C 1.532 0.285 0 CA-C-N 116.326 -0.397 . . . . 10.0 110.992 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 6' ' ' LYS . . . . . . . . . . . . . 21.2 tptm -72.1 -55.42 7.36 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.414 -0.357 . . . . 10.0 110.567 -179.744 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 7' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -75.44 -12.23 14.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.992 0.425 . . . . 10.0 110.769 -179.668 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 8' ' ' LEU . . . . . . . . . . . . . 12.4 tp -72.0 -21.93 61.49 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.707 -0.679 . . . . 10.0 110.469 179.794 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 9' ' ' ASN . . . . . . . . . . . . . 7.9 t-20 -91.9 -5.75 52.67 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.148 -0.478 . . . . 10.0 110.371 179.669 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 10' ' ' ASN . . . . . . . . . . . . . 74.7 m-20 -92.16 108.53 20.01 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.096 -0.502 . . . . 10.0 110.344 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 11' ' ' ILE . . . . . 0.402 ' O ' ' HB2' ' C' ' 15' ' ' ARG . 1.8 tp -58.03 -35.47 52.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-N 116.388 -0.369 . . . . 10.0 111.385 -179.485 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 12' ' ' ARG . . . . . . . . . . . . . 14.9 mmt85 -71.15 -50.12 36.71 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.622 0.249 . . . . 10.0 111.273 -179.749 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 13' ' ' THR . . . . . . . . . . . . . 1.8 m -65.53 -41.72 92.79 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.121 0.486 . . . . 10.0 111.221 -179.73 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 14' ' ' LEU . . . . . . . . . . . . . 50.6 tp -61.76 -48.51 80.35 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.713 -0.676 . . . . 10.0 110.695 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 15' ' ' ARG . . . . . 0.402 ' HB2' ' O ' ' C' ' 11' ' ' ILE . 24.3 ttt-85 -60.93 -30.47 70.23 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.141 -0.482 . . . . 10.0 110.985 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 16' ' ' ALA . . . . . . . . . . . . . . . -77.31 -45.94 24.59 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.312 -0.404 . . . . 10.0 111.86 -179.748 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 17' ' ' GLN . . . . . . . . . . . . . 2.0 tt0 -75.31 -21.93 58.07 Favored 'General case' 0 C--N 1.331 -0.231 0 C-N-CA 121.068 -0.253 . . . . 10.0 111.48 -179.269 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 18' ' ' ALA . . . . . 0.431 ' O ' HD13 ' C' ' 26' ' ' LEU . . . -67.73 -18.41 64.89 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.073 0.463 . . . . 10.0 110.662 179.306 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 19' ' ' ARG . . . . . . . . . . . . . 98.0 mtt180 -84.07 5.91 24.2 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.304 -0.407 . . . . 10.0 111.172 -179.811 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 20' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -87.07 -14.4 41.57 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.21 -0.45 . . . . 10.0 111.194 179.458 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 21' ' ' CYS . . . . . . . . . . . . . 73.1 m -133.1 168.96 17.56 Favored 'General case' 0 CA--C 1.512 -0.519 0 CA-C-O 121.474 0.654 . . . . 0.0 110.974 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 22' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -76.69 166.27 23.6 Favored 'General case' 0 N--CA 1.45 -0.442 0 CA-C-N 115.072 -0.967 . . . . 10.0 111.47 179.904 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 60.7 tp -62.48 -33.21 74.4 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.206 -0.452 . . . . 10.0 110.965 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 24' ' ' GLU . . . . . . . . . . . . . 4.5 tt0 -56.1 -54.65 42.5 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.316 -0.402 . . . . 10.0 110.831 179.901 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 25' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -67.11 -40.75 86.92 Favored 'General case' 0 N--CA 1.449 -0.507 0 CA-C-N 116.073 -0.512 . . . . 10.0 111.328 -179.828 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 26' ' ' LEU . . . . . 0.431 HD13 ' O ' ' C' ' 18' ' ' ALA . 89.8 mt -60.53 -46.04 91.61 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.176 0.512 . . . . 10.0 110.951 179.406 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 27' ' ' GLU . . . . . 0.504 ' O ' ' HG3' ' C' ' 31' ' ' GLU . 41.1 tt0 -67.7 -48.99 65.0 Favored 'General case' 0 N--CA 1.447 -0.602 0 CA-C-N 115.859 -0.61 . . . . 10.0 110.785 -179.734 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 28' ' ' GLU . . . . . 0.493 ' O ' ' HG3' ' C' ' 32' ' ' LYS . 3.8 tt0 -57.5 -39.54 76.69 Favored 'General case' 0 N--CA 1.461 0.121 0 O-C-N 123.069 0.23 . . . . 10.0 110.93 -179.479 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 29' ' ' MET . . . . . 0.446 ' SD ' HD21 ' B' ' 8' ' ' LEU . 13.2 ptp -73.89 -31.56 63.17 Favored 'General case' 0 C--N 1.331 -0.203 0 C-N-CA 120.449 -0.5 . . . . 10.0 110.719 179.926 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 30' ' ' LEU . . . . . . . . . . . . . 12.6 tp -66.81 -40.4 88.04 Favored 'General case' 0 C--O 1.232 0.148 0 N-CA-C 109.342 -0.614 . . . . 10.0 109.342 178.625 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 31' ' ' GLU . . . . . 0.504 ' HG3' ' O ' ' C' ' 27' ' ' GLU . 52.2 mt-10 -62.81 -31.62 72.65 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.256 -0.884 . . . . 10.0 110.435 179.623 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 32' ' ' LYS . . . . . 0.493 ' HG3' ' O ' ' C' ' 28' ' ' GLU . 85.1 mttt -81.03 -16.89 52.04 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.067 -0.515 . . . . 10.0 110.405 179.817 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 33' ' ' LEU . . . . . 0.538 ' O ' HG11 ' C' ' 36' ' ' VAL . 50.1 tp -86.27 -40.2 15.77 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.149 -0.478 . . . . 10.0 110.508 179.609 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 34' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -66.9 -30.59 70.78 Favored 'General case' 0 C--N 1.326 -0.454 0 C-N-CA 120.934 -0.306 . . . . 10.0 111.327 -179.551 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 35' ' ' VAL . . . . . . . . . . . . . 27.1 m -73.87 -33.97 38.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 C-N-CA 120.973 -0.291 . . . . 10.0 111.335 -179.824 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 36' ' ' VAL . . . . . 0.538 HG11 ' O ' ' C' ' 33' ' ' LEU . 3.8 p -71.97 -31.07 39.17 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.17 0 N-CA-C 109.381 -0.6 . . . . 10.0 109.381 179.135 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 37' ' ' VAL . . . . . . . . . . . . . 77.9 t -72.57 -36.37 53.6 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.341 0 N-CA-C 108.893 -0.781 . . . . 10.0 108.893 178.148 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 38' ' ' ASN . . . . . . . . . . . . . 2.0 t30 -59.05 -42.17 89.63 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.513 -0.767 . . . . 10.0 109.451 178.411 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 39' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -61.6 -34.89 76.41 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 115.512 -0.767 . . . . 10.0 110.115 179.408 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 40' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -73.64 -30.45 62.95 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.873 -0.603 . . . . 10.0 109.903 178.706 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 41' ' ' ARG . . . . . 0.461 ' HD3' ' OE1' ' B' ' 27' ' ' GLU . 10.3 mmm180 -66.35 -47.37 73.64 Favored 'General case' 0 C--N 1.333 -0.15 0 N-CA-C 109.157 -0.682 . . . . 10.0 109.157 178.281 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 42' ' ' GLU . . . . . . . . . . . . . 16.2 mt-10 -65.86 -12.59 55.6 Favored 'General case' 0 N--CA 1.464 0.232 0 CA-C-N 115.791 -0.64 . . . . 10.0 110.726 179.469 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 43' ' ' GLU . . . . . . . . . . . . . 23.3 tt0 -88.33 -56.23 3.4 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.613 -0.721 . . . . 10.0 111.35 -179.247 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 44' ' ' GLU . . . . . . . . . . . . . 5.3 mt-10 . . . . . 0 C--N 1.328 -0.342 0 N-CA-C 112.665 0.616 . . . . 10.0 112.665 -178.418 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 52.2 tp . . . . . 0 N--CA 1.479 0.983 0 N-CA-C 110.104 -0.332 . . . . 10.0 110.104 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -92.05 152.3 20.03 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.298 -0.41 . . . . 10.0 111.03 -179.869 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 60.8 pttt -69.23 -20.05 63.95 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.796 0.332 . . . . 10.0 110.625 179.655 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -61.68 -38.3 87.27 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.028 -0.533 . . . . 10.0 111.035 179.639 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -63.16 -38.32 90.72 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.065 -0.516 . . . . 10.0 110.61 -179.773 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 4.3 m-85 -78.42 -37.42 43.87 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.062 -0.517 . . . . 10.0 109.687 178.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 42.7 tp -58.29 -51.22 70.69 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.823 -0.626 . . . . 10.0 110.896 179.767 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 1.6 tpt -65.44 -31.89 73.22 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.033 0.444 . . . . 10.0 110.393 -179.86 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.76 -30.48 69.09 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.992 -0.549 . . . . 10.0 110.418 179.201 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 91.3 mt -93.23 -4.03 52.67 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.166 -0.47 . . . . 10.0 111.229 -179.803 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -66.35 -23.89 66.42 Favored 'General case' 0 N--CA 1.464 0.272 0 CA-C-O 121.104 0.478 . . . . 10.0 110.662 -179.886 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 90.2 mtm-85 -78.17 -20.06 52.73 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.311 0.577 . . . . 10.0 110.527 179.319 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 35.4 m -79.57 99.39 7.28 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.782 -0.644 . . . . 10.0 110.691 -179.809 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . 0.4 ' C ' ' H ' ' A' ' 21' ' ' ILE . 12.4 mm100 -98.65 -174.32 2.77 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.821 -0.627 . . . . 10.0 109.772 179.054 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' THR . . . . . 0.45 ' O ' ' HB ' ' A' ' 21' ' ' ILE . 7.4 p 62.79 -8.19 0.13 Allowed 'General case' 0 N--CA 1.472 0.675 0 N-CA-C 114.428 1.269 . . . . 10.0 114.428 178.283 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . 0.45 ' HB ' ' O ' ' A' ' 20' ' ' THR . 82.0 mt 73.43 -48.63 0.19 Allowed 'Isoleucine or valine' 0 N--CA 1.469 0.493 0 C-N-CA 122.876 0.471 . . . . 10.0 110.657 -179.147 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 13.0 t70 -54.65 -37.75 66.06 Favored 'General case' 0 C--N 1.327 -0.384 0 C-N-CA 123.06 0.544 . . . . 10.0 111.275 179.762 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 5.3 m -67.3 -39.87 86.0 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.253 0.549 . . . . 10.0 110.596 179.128 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.413 ' O ' HG11 ' A' ' 27' ' ' VAL . 20.0 tp -65.83 -40.01 91.39 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.337 -0.847 . . . . 10.0 110.874 -179.268 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 6.7 tp10 -56.69 -26.22 56.03 Favored 'General case' 0 CA--C 1.538 0.508 0 CA-C-N 115.961 -0.563 . . . . 10.0 111.802 -179.647 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 72.9 mtt85 -90.7 -39.77 12.25 Favored 'General case' 0 C--N 1.33 -0.271 0 N-CA-C 111.845 0.313 . . . . 10.0 111.845 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . 0.413 HG11 ' O ' ' A' ' 24' ' ' LEU . 5.8 p -65.77 -35.37 74.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 C-N-CA 121.088 -0.245 . . . . 10.0 111.271 -178.951 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . 0.483 ' O ' ' HB2' ' A' ' 32' ' ' LYS . 48.7 pt -74.48 -21.95 17.53 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-O 120.975 0.417 . . . . 10.0 110.235 179.582 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 9.9 tp10 -78.22 -46.16 21.11 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.824 -0.626 . . . . 10.0 109.634 179.415 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 24.1 mtpp -67.14 -47.91 69.66 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.646 -0.706 . . . . 10.0 111.003 179.902 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . 0.467 ' O ' ' HG ' ' A' ' 35' ' ' LEU . 0.1 OUTLIER -66.26 -25.63 66.97 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.196 -0.457 . . . . 10.0 111.622 -179.339 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.483 ' HB2' ' O ' ' A' ' 28' ' ' ILE . 36.0 ttmt -56.7 -34.48 67.47 Favored 'General case' 0 C--N 1.328 -0.358 0 C-N-CA 122.778 0.431 . . . . 10.0 111.632 -179.712 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 88.6 m-85 -96.93 -3.07 42.46 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 120.924 0.392 . . . . 10.0 111.469 -178.872 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 53.5 mt-10 -103.91 9.08 36.9 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.17 0.51 . . . . 10.0 110.195 179.478 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.467 ' HG ' ' O ' ' A' ' 31' ' ' ASN . 88.7 mt -104.7 158.39 16.54 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.751 -0.658 . . . . 10.0 110.521 179.638 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' SER . . . . . 0.482 ' O ' ' HB2' ' A' ' 37' ' ' ASP . 2.4 m -92.9 1.68 57.17 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 116.139 -0.482 . . . . 10.0 110.47 -179.799 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . 0.482 ' HB2' ' O ' ' A' ' 36' ' ' SER . 97.1 m-20 79.75 -14.4 0.86 Allowed 'General case' 0 C--O 1.255 1.389 0 C-N-CA 124.919 1.288 . . . . 0.0 111.079 178.929 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 2.2 p-10 -82.77 -32.82 27.59 Favored 'General case' 0 C--N 1.331 -0.234 0 O-C-N 120.827 -1.171 . . . . 10.0 109.869 178.829 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -88.0 -16.08 34.66 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 108.948 -0.76 . . . . 10.0 108.948 178.873 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 29.5 tp -61.21 -21.55 63.94 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 114.759 -1.11 . . . . 10.0 110.317 179.176 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -60.58 -40.01 90.15 Favored 'General case' 0 N--CA 1.455 -0.223 0 CA-C-N 115.871 -0.604 . . . . 10.0 111.465 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 35.5 m -93.06 -17.17 7.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.677 -0.238 . . . . 10.0 111.022 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 54.3 t80 -66.38 -32.38 73.73 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.824 0.345 . . . . 10.0 110.509 179.617 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 24.8 m-85 -58.42 -64.68 0.84 Allowed 'General case' 0 C--O 1.224 -0.263 0 CA-C-N 115.947 -0.57 . . . . 10.0 110.501 179.096 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 18.2 t -56.97 -28.6 62.48 Favored 'General case' 0 CA--C 1.535 0.389 0 CA-C-N 116.142 -0.481 . . . . 10.0 111.379 -179.209 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -67.69 -55.02 14.83 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.749 0.309 . . . . 10.0 110.547 179.217 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -68.09 -39.29 82.9 Favored 'General case' 0 C--O 1.235 0.335 0 CA-C-N 116.08 -0.509 . . . . 10.0 110.557 179.882 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -55.8 -44.91 78.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.547 0.689 . . . . 10.0 110.022 178.961 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' HIS . . . . . 0.422 ' O ' ' HG2' ' A' ' 53' ' ' GLU . 6.2 t60 -70.98 -43.65 67.6 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.436 -0.802 . . . . 10.0 110.584 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 17.9 tpt180 -60.75 -41.71 95.96 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.041 -0.527 . . . . 10.0 111.921 -178.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 11.9 tp -69.9 -37.87 76.12 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 116.582 -0.281 . . . . 10.0 110.902 -179.667 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -58.78 -51.08 71.52 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.346 -0.388 . . . . 10.0 112.011 -179.557 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . 0.422 ' HG2' ' O ' ' A' ' 49' ' ' HIS . 10.7 pt-20 -67.5 -32.4 73.19 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.366 -0.379 . . . . 10.0 111.541 -179.197 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 12.0 tp -73.85 -33.95 64.32 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 111.774 0.287 . . . . 10.0 111.774 -179.127 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 13.3 m -70.67 -37.05 73.62 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.804 0.335 . . . . 10.0 111.034 -179.699 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 93.6 mmm -88.87 -8.97 53.29 Favored 'General case' 0 C--O 1.235 0.299 0 CA-C-N 116.423 -0.353 . . . . 10.0 110.844 179.831 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 49.6 t30 63.19 27.15 15.52 Favored 'General case' 0 N--CA 1.465 0.322 0 CA-C-N 115.637 -0.711 . . . . 10.0 110.833 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 43.9 tttp -141.2 122.99 15.31 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.734 -0.666 . . . . 10.0 109.847 -179.872 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 7.8 mp -74.32 136.55 42.56 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.137 -0.483 . . . . 10.0 110.929 -179.473 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 52.9 m-85 -129.74 143.16 50.68 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.766 -0.652 . . . . 10.0 110.262 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 23.1 m-20 -74.77 -43.34 55.34 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 109.12 -0.696 . . . . 10.0 109.12 178.632 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 24.3 pttt -104.57 -163.03 0.93 Allowed 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.482 -0.781 . . . . 10.0 109.518 178.854 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.429 ' HA ' ' HD3' ' A' ' 64' ' ' PRO . 12.9 mm -120.9 125.19 27.14 Favored Pre-proline 0 C--N 1.324 -0.522 0 N-CA-C 111.723 0.268 . . . . 10.0 111.723 -179.285 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . 0.429 ' HD3' ' HA ' ' A' ' 63' ' ' ILE . 5.2 Cg_exo -80.45 133.18 9.43 Favored 'Trans proline' 0 C--N 1.349 0.58 0 C-N-CA 122.729 2.286 . . . . 10.0 110.64 176.626 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 1.1 m -58.78 -46.68 86.97 Favored 'General case' 0 C--N 1.32 -0.716 0 N-CA-C 113.507 0.929 . . . . 10.0 113.507 -178.397 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 97.7 p -80.82 23.5 0.54 Allowed 'General case' 0 C--O 1.26 1.649 0 O-C-N 121.375 -0.828 . . . . 0.0 110.981 -176.346 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 1.8 p -101.83 -19.52 5.98 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.096 0 CA-C-N 120.924 1.693 . . . . 10.0 111.418 -179.809 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' TRP . . . . . 0.454 ' CZ2' ' HE2' ' C' ' 32' ' ' LYS . 81.5 m95 -70.59 -8.79 54.21 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 112.419 0.525 . . . . 10.0 112.419 -178.316 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 14.6 tppt? -82.95 -17.49 43.38 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.196 0.522 . . . . 10.0 110.169 179.445 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 40.1 m-85 -94.13 -3.6 50.74 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 120.851 0.358 . . . . 10.0 110.885 -179.611 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 29.4 mt -109.2 139.03 33.68 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 CA-C-N 116.223 -0.444 . . . . 10.0 110.69 -179.17 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 46.3 mtp180 . . . . . 0 C--O 1.25 1.086 0 CA-C-O 118.532 -0.747 . . . . 10.0 110.289 -179.714 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.886 0.374 . . . . 10.0 110.21 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . -67.01 -46.02 75.77 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 115.969 -0.56 . . . . 10.0 110.705 -179.811 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 8.7 mp -76.54 -14.06 60.04 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.136 -0.484 . . . . 10.0 111.316 -179.811 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 60.5 tttt -72.51 -49.6 31.71 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.185 -0.461 . . . . 10.0 110.5 -179.828 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 7' ' ' ILE . . . . . . . . . . . . . 34.6 pt -76.16 -20.4 15.32 Favored 'Isoleucine or valine' 0 C--O 1.232 0.181 0 CA-C-N 116.352 -0.385 . . . . 10.0 111.112 -179.769 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 5.5 tp -77.26 -20.19 55.48 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.973 -0.558 . . . . 10.0 111.084 -179.786 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 9' ' ' ASN . . . . . . . . . . . . . 46.2 t30 -93.25 24.08 4.05 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.754 0.312 . . . . 10.0 111.657 -179.036 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 10' ' ' ASN . . . . . . . . . . . . . 28.4 t-20 -148.63 120.35 8.08 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 109.917 -0.401 . . . . 10.0 109.917 178.354 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 3.4 pt -63.49 -34.32 66.75 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 N-CA-C 113.088 0.773 . . . . 10.0 113.088 -178.21 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 12' ' ' ARG . . . . . . . . . . . . . 51.2 mtt180 -64.63 -40.07 94.81 Favored 'General case' 0 C--N 1.325 -0.486 0 C-N-CA 121.033 -0.267 . . . . 10.0 111.572 -178.488 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 13' ' ' THR . . . . . . . . . . . . . 1.4 p -80.4 -40.13 27.03 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 121.222 0.534 . . . . 10.0 111.167 179.335 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 18.2 tp -67.37 -35.54 79.55 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.794 -0.639 . . . . 10.0 111.885 -178.579 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 15' ' ' ARG . . . . . 0.427 ' O ' ' HG2' ' B' ' 19' ' ' ARG . 18.1 mtt180 -57.76 -40.99 81.02 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.528 0.204 . . . . 10.0 111.078 -179.892 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 16' ' ' ALA . . . . . . . . . . . . . . . -75.93 -35.3 59.79 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.098 0.475 . . . . 10.0 111.151 -179.72 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 17' ' ' GLN . . . . . . . . . . . . . 26.6 tp60 -67.89 -34.87 77.49 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.007 -0.542 . . . . 10.0 111.376 -179.666 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -78.67 2.57 19.07 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 112.602 0.593 . . . . 10.0 112.602 -178.843 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 19' ' ' ARG . . . . . 0.427 ' HG2' ' O ' ' B' ' 15' ' ' ARG . 21.5 mmm180 -87.91 -9.83 52.47 Favored 'General case' 0 C--N 1.327 -0.397 0 C-N-CA 120.644 -0.422 . . . . 10.0 110.615 179.531 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 4.3 pt-20 -96.63 -0.99 47.72 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.971 0.415 . . . . 10.0 110.848 179.747 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 21' ' ' CYS . . . . . 0.456 ' SG ' HD12 ' C' ' 5' ' ' LEU . 79.4 m -123.46 140.04 53.41 Favored 'General case' 0 CA--C 1.51 -0.57 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.013 178.952 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 22' ' ' THR . . . . . 0.545 ' HB ' ' OE1' ' B' ' 24' ' ' GLU . 0.0 OUTLIER -71.57 163.19 28.2 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 116.322 -0.399 . . . . 10.0 111.082 178.866 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 46.7 tp -58.96 -32.34 69.55 Favored 'General case' 0 C--O 1.224 -0.268 0 CA-C-N 116.532 -0.303 . . . . 10.0 111.239 -179.217 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 24' ' ' GLU . . . . . 0.545 ' OE1' ' HB ' ' B' ' 22' ' ' THR . 29.0 mp0 -56.35 -47.51 78.69 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.854 0.359 . . . . 10.0 111.374 -179.459 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 1.6 m -72.74 -37.75 67.62 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.944 0.402 . . . . 10.0 110.878 179.693 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 97.2 mt -63.86 -44.18 93.88 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.988 -0.551 . . . . 10.0 110.762 -179.747 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 19.2 tt0 -65.13 -43.37 92.13 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.701 -0.681 . . . . 10.0 110.564 179.89 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 18.3 tt0 -62.11 -46.89 87.03 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.714 -0.676 . . . . 10.0 111.032 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 29' ' ' MET . . . . . . . . . . . . . 14.3 ptp -68.44 -28.55 67.15 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.691 -0.231 . . . . 10.0 110.627 -179.747 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 64.9 tp -64.65 -53.24 50.59 Favored 'General case' 0 N--CA 1.452 -0.373 0 CA-C-N 116.457 -0.338 . . . . 10.0 110.204 179.776 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 38.8 mt-10 -61.15 -38.19 85.53 Favored 'General case' 0 C--O 1.234 0.282 0 CA-C-N 116.111 -0.495 . . . . 10.0 110.157 179.576 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 3.8 ttmt -63.14 -46.5 86.95 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.491 -0.777 . . . . 10.0 110.633 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 33.4 tp -68.24 -34.87 77.01 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.136 0.493 . . . . 10.0 109.939 179.219 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 37.6 tt0 -60.34 -48.47 81.61 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.629 -0.714 . . . . 10.0 110.906 179.618 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 35' ' ' VAL . . . . . . . . . . . . . 23.3 m -67.78 -29.13 44.04 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.148 0 C-N-CA 120.746 -0.382 . . . . 10.0 110.704 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 24.0 t -69.16 -48.41 69.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-O 121.124 0.488 . . . . 10.0 109.86 178.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 76.0 t -67.71 -38.55 80.51 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-N 116.092 -0.504 . . . . 10.0 110.028 179.152 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 19.5 t30 -62.2 -38.03 87.58 Favored 'General case' 0 C--O 1.234 0.287 0 N-CA-C 109.562 -0.532 . . . . 10.0 109.562 178.534 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 39' ' ' GLU . . . . . 0.514 ' O ' ' HG3' ' B' ' 43' ' ' GLU . 5.5 tt0 -61.84 -45.03 95.58 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 108.946 -0.761 . . . . 10.0 108.946 178.307 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 21.2 mmm-85 -62.34 -41.76 98.84 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.171 -0.922 . . . . 10.0 109.521 178.718 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 41' ' ' ARG . . . . . . . . . . . . . 94.5 mtt180 -55.89 -44.83 78.55 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-N 115.772 -0.649 . . . . 10.0 109.893 179.151 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 2.2 tp10 -62.22 -42.07 98.97 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.882 -0.599 . . . . 10.0 110.602 179.807 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 43' ' ' GLU . . . . . 0.514 ' HG3' ' O ' ' B' ' 39' ' ' GLU . 32.3 mt-10 -67.62 -39.0 84.71 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.83 0.348 . . . . 10.0 110.416 179.594 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -69.44 -37.03 77.19 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.673 -0.694 . . . . 10.0 111.431 -179.47 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 45' ' ' SER . . . . . . . . . . . . . 34.3 p -99.4 21.1 12.57 Favored 'General case' 0 N--CA 1.464 0.241 0 CA-C-O 120.95 0.405 . . . . 10.0 111.678 -179.313 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.321 -0.662 0 CA-C-O 120.925 0.393 . . . . 10.0 110.826 -179.973 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' C' C ' 3' ' ' GLU . . . . . 0.444 ' O ' HG12 ' C' ' 7' ' ' ILE . 2.8 mp0 . . . . . 0 C--O 1.232 0.157 0 CA-C-O 120.97 0.414 . . . . 10.0 110.931 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 4' ' ' ALA . . . . . . . . . . . . . . . -56.21 -44.0 79.06 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.793 -0.64 . . . . 10.0 111.84 -179.771 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 5' ' ' LEU . . . . . 0.456 HD12 ' SG ' ' B' ' 21' ' ' CYS . 93.0 mt -71.05 -29.86 65.87 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.682 0.277 . . . . 10.0 111.668 -179.082 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 6' ' ' LYS . . . . . . . . . . . . . 9.5 tptm -67.09 -36.36 81.8 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.014 0.435 . . . . 10.0 110.935 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 7' ' ' ILE . . . . . 0.444 HG12 ' O ' ' C' ' 3' ' ' GLU . 43.0 mm -68.03 -31.37 51.6 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 115.828 -0.623 . . . . 10.0 111.073 -179.891 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 8' ' ' LEU . . . . . . . . . . . . . 6.4 mp -76.31 -13.94 60.13 Favored 'General case' 0 C--O 1.235 0.305 0 CA-C-N 116.091 -0.504 . . . . 10.0 111.759 -179.372 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 9' ' ' ASN . . . . . . . . . . . . . 25.8 t-20 -81.26 -19.85 42.19 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.047 0.451 . . . . 10.0 110.375 179.786 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 10' ' ' ASN . . . . . . . . . . . . . 4.2 m120 -96.39 119.41 34.82 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.088 0.471 . . . . 10.0 110.987 -179.699 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 11' ' ' ILE . . . . . . . . . . . . . 4.8 tp -62.94 -28.18 44.56 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.189 0 CA-C-N 115.872 -0.604 . . . . 10.0 111.022 -179.913 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 12' ' ' ARG . . . . . . . . . . . . . 26.3 mmt180 -62.99 -48.48 78.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.244 -0.434 . . . . 10.0 111.384 -179.712 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 13' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -75.93 -38.94 57.14 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 120.649 0.262 . . . . 10.0 111.546 -179.311 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 14' ' ' LEU . . . . . . . . . . . . . 13.1 tp -61.82 -41.88 98.33 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.843 0.354 . . . . 10.0 110.686 -179.783 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 15' ' ' ARG . . . . . . . . . . . . . 20.8 ttm180 -71.92 -7.8 50.66 Favored 'General case' 0 CA--C 1.534 0.352 0 CA-C-O 121.351 0.596 . . . . 10.0 110.598 179.779 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 16' ' ' ALA . . . . . . . . . . . . . . . -100.89 -45.05 5.56 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.124 -0.489 . . . . 10.0 111.126 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 17' ' ' GLN . . . . . . . . . . . . . 96.8 mt-30 -69.62 -31.62 69.84 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.245 -0.434 . . . . 10.0 111.418 -179.388 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 18' ' ' ALA . . . . . . . . . . . . . . . -70.39 -0.66 8.68 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 112.523 0.564 . . . . 10.0 112.523 -179.205 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 19' ' ' ARG . . . . . . . . . . . . . 67.3 mtt180 -86.38 -16.17 38.11 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.032 0.444 . . . . 10.0 110.262 179.442 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 20' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -74.63 -63.19 1.3 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.668 -0.696 . . . . 10.0 110.838 179.644 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 21' ' ' CYS . . . . . . . . . . . . . 74.4 m -70.29 157.79 37.07 Favored 'General case' 0 CA--C 1.51 -0.572 0 CA-C-O 122.254 1.025 . . . . 0.0 110.951 -179.357 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 22' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -83.8 167.9 16.67 Favored 'General case' 0 N--CA 1.45 -0.444 0 CA-C-N 114.758 -1.11 . . . . 10.0 110.302 178.027 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 21.4 tp -54.87 -43.11 72.83 Favored 'General case' 0 C--N 1.332 -0.159 0 O-C-N 123.142 0.276 . . . . 10.0 111.733 -179.4 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 24' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -50.0 -58.16 6.05 Favored 'General case' 0 N--CA 1.465 0.276 0 O-C-N 123.492 0.495 . . . . 10.0 111.652 -179.849 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 25' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -62.22 -36.12 81.01 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.096 -0.502 . . . . 10.0 111.969 -179.009 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 26' ' ' LEU . . . . . . . . . . . . . 76.6 mt -65.4 -42.94 92.05 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.85 0.357 . . . . 10.0 110.628 179.85 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 27' ' ' GLU . . . . . 0.517 ' O ' ' HG3' ' C' ' 31' ' ' GLU . 12.1 mt-10 -67.94 -47.21 69.32 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.03 -0.532 . . . . 10.0 110.347 179.782 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 28' ' ' GLU . . . . . . . . . . . . . 9.0 tt0 -53.77 -46.65 71.05 Favored 'General case' 0 N--CA 1.462 0.163 0 O-C-N 123.404 0.44 . . . . 10.0 111.073 -179.623 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 29' ' ' MET . . . . . . . . . . . . . 16.0 ptp -75.19 -30.61 60.7 Favored 'General case' 0 C--N 1.328 -0.342 0 C-N-CA 121.218 -0.193 . . . . 10.0 111.357 -179.51 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 30' ' ' LEU . . . . . . . . . . . . . 19.8 tp -64.04 -45.5 88.57 Favored 'General case' 0 C--O 1.234 0.247 0 CA-C-O 121.055 0.455 . . . . 10.0 110.205 179.265 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 31' ' ' GLU . . . . . 0.517 ' HG3' ' O ' ' C' ' 27' ' ' GLU . 65.1 mt-10 -63.69 -32.28 73.71 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.599 -0.728 . . . . 10.0 110.383 179.847 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 32' ' ' LYS . . . . . 0.537 ' O ' HG12 ' C' ' 35' ' ' VAL . 29.0 mttt -73.79 -33.16 64.1 Favored 'General case' 0 N--CA 1.452 -0.36 0 CA-C-N 115.868 -0.605 . . . . 10.0 110.631 179.637 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 33' ' ' LEU . . . . . . . . . . . . . 63.3 tp -76.64 -42.44 42.06 Favored 'General case' 0 C--O 1.235 0.312 0 CA-C-O 120.571 0.224 . . . . 10.0 110.786 179.474 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 34' ' ' GLU . . . . . 0.402 ' HG2' ' HA ' ' C' ' 31' ' ' GLU . 8.7 pt-20 -63.01 -33.18 74.87 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.405 -0.361 . . . . 10.0 110.786 -179.236 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 35' ' ' VAL . . . . . 0.537 HG12 ' O ' ' C' ' 32' ' ' LYS . 2.9 p -71.17 -33.64 51.73 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.262 0 C-N-CA 120.74 -0.384 . . . . 10.0 110.497 179.685 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 36' ' ' VAL . . . . . 0.47 HG22 ' O ' ' C' ' 32' ' ' LYS . 96.7 t -69.35 -45.63 78.54 Favored 'Isoleucine or valine' 0 C--O 1.234 0.246 0 N-CA-C 109.652 -0.499 . . . . 10.0 109.652 179.229 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 37' ' ' VAL . . . . . . . . . . . . . 59.0 t -62.85 -37.68 79.84 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.324 0 N-CA-C 109.229 -0.656 . . . . 10.0 109.229 178.888 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 38' ' ' ASN . . . . . 0.451 ' O ' ' HG3' ' C' ' 42' ' ' GLU . 13.4 t-20 -58.38 -45.5 88.19 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 115.944 -0.571 . . . . 10.0 109.901 178.776 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 39' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -58.97 -41.63 88.0 Favored 'General case' 0 N--CA 1.461 0.116 0 CA-C-N 116.306 -0.406 . . . . 10.0 110.148 179.17 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 40' ' ' ARG . . . . . 0.545 ' HD2' ' OE1' ' C' ' 43' ' ' GLU . 7.1 mmm180 -64.89 -36.51 84.58 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.489 -0.778 . . . . 10.0 110.625 179.769 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 41' ' ' ARG . . . . . . . . . . . . . 4.9 mmm180 -61.82 -38.65 88.95 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.912 -0.585 . . . . 10.0 110.418 179.715 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 42' ' ' GLU . . . . . 0.451 ' HG3' ' O ' ' C' ' 38' ' ' ASN . 6.1 mt-10 -67.99 -29.72 68.81 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.03 -0.532 . . . . 10.0 110.815 -179.611 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 43' ' ' GLU . . . . . 0.545 ' OE1' ' HD2' ' C' ' 40' ' ' ARG . 48.5 mt-10 -72.15 -54.74 8.81 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.275 0.559 . . . . 10.0 109.944 179.325 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 44' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.324 -0.511 0 CA-C-N 115.342 -0.845 . . . . 10.0 112.135 -179.506 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 6.9 mp . . . . . 0 N--CA 1.479 1.008 0 N-CA-C 110.275 -0.269 . . . . 10.0 110.275 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -71.87 154.07 41.48 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.175 -0.466 . . . . 10.0 110.995 -179.902 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . 0.54 ' HD2' ' CB ' ' A' ' 45' ' ' SER . 21.0 ttpt -60.68 -38.64 85.6 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.344 0.592 . . . . 10.0 110.581 179.908 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -68.07 -28.55 67.46 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.332 -0.849 . . . . 10.0 111.818 -179.803 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -62.63 -46.7 87.06 Favored 'General case' 0 N--CA 1.463 0.213 0 CA-C-O 120.87 0.367 . . . . 10.0 110.828 -179.492 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 27.8 m-85 -72.48 -40.68 66.74 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 109.607 -0.516 . . . . 10.0 109.607 179.163 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 55.7 tp -57.6 -48.5 79.23 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.392 -0.822 . . . . 10.0 111.285 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 62.9 mmm -65.8 -35.89 81.96 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.671 0.272 . . . . 10.0 111.308 -179.644 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.68 -31.99 73.02 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.138 0.494 . . . . 10.0 109.931 179.212 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 96.4 mt -86.34 -5.83 59.08 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.147 -0.479 . . . . 10.0 111.171 179.72 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -70.69 -16.71 62.82 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.753 0.311 . . . . 10.0 111.019 -179.747 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 17.2 mtm-85 -90.59 -3.36 57.62 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.139 0.495 . . . . 10.0 110.433 179.847 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 46.3 m -89.9 119.24 30.1 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.825 -0.625 . . . . 10.0 110.064 179.618 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 3.7 mm-40 -119.24 -175.19 2.88 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.927 -0.579 . . . . 10.0 110.979 -179.338 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 1.2 m 67.31 -4.4 0.88 Allowed 'General case' 0 N--CA 1.472 0.643 0 N-CA-C 113.196 0.813 . . . . 10.0 113.196 178.706 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 90.4 mt 70.61 -54.42 0.27 Allowed 'Isoleucine or valine' 0 N--CA 1.469 0.518 0 C-N-CA 122.985 0.514 . . . . 10.0 111.674 -179.719 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . 0.44 ' O ' ' HG3' ' A' ' 26' ' ' ARG . 34.7 t70 -56.43 -42.35 77.92 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.794 0.33 . . . . 10.0 111.029 179.863 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 3.3 m -60.9 -30.54 70.24 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.011 0.434 . . . . 10.0 110.744 179.694 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.405 ' O ' HG11 ' A' ' 27' ' ' VAL . 22.6 tp -75.79 -44.13 42.86 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 109.555 -0.535 . . . . 10.0 109.555 179.22 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 7.7 tp10 -59.07 -31.3 68.75 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.643 -0.708 . . . . 10.0 110.626 179.909 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . 0.44 ' HG3' ' O ' ' A' ' 22' ' ' ASP . 77.7 mtt180 -74.76 -48.95 22.79 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.294 -0.412 . . . . 10.0 111.682 179.723 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . 0.405 HG11 ' O ' ' A' ' 24' ' ' LEU . 9.8 p -64.52 -35.3 74.15 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.36 0 N-CA-C 112.422 0.527 . . . . 10.0 112.422 -178.028 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 50.6 pt -69.8 -27.4 33.12 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.123 0 O-C-N 122.161 -0.337 . . . . 10.0 110.591 179.873 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 51.6 tp10 -71.01 -39.65 72.28 Favored 'General case' 0 N--CA 1.456 -0.161 0 N-CA-C 109.508 -0.553 . . . . 10.0 109.508 179.232 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 20.7 mtpp -65.32 -48.47 72.97 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.782 -0.645 . . . . 10.0 110.224 179.32 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . 0.402 ' O ' ' HG ' ' A' ' 35' ' ' LEU . 2.7 m120 -62.35 -25.76 68.08 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.576 -0.738 . . . . 10.0 111.196 -179.646 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 33.4 ttmt -59.47 -29.82 68.09 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.853 0.358 . . . . 10.0 110.964 179.695 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 29.9 m-85 -110.29 -2.2 16.87 Favored 'General case' 0 CA--C 1.531 0.229 0 CA-C-O 120.881 0.372 . . . . 10.0 111.347 -179.229 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 69.4 mt-10 -103.68 -23.32 13.46 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.663 -0.244 . . . . 10.0 111.386 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.402 ' HG ' ' O ' ' A' ' 31' ' ' ASN . 45.6 mt -73.72 154.1 39.77 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.939 0.399 . . . . 10.0 111.279 -179.389 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -86.57 19.85 2.7 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.953 -0.567 . . . . 10.0 111.804 -179.066 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 97.8 m-20 71.22 -41.42 0.5 Allowed 'General case' 0 C--O 1.259 1.593 0 C-N-CA 124.966 1.306 . . . . 0.0 111.033 177.661 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 30.6 p-10 -57.63 -52.51 65.14 Favored 'General case' 0 C--N 1.319 -0.722 0 O-C-N 120.274 -1.516 . . . . 10.0 111.626 -178.576 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -82.44 2.42 32.71 Favored 'General case' 0 C--N 1.331 -0.221 0 N-CA-C 111.9 0.333 . . . . 10.0 111.9 -179.332 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 41.8 tp -66.95 -23.04 65.91 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.162 0.506 . . . . 10.0 109.911 179.292 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -67.8 -49.69 60.99 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.713 -0.676 . . . . 10.0 110.934 179.848 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -73.96 -26.22 21.01 Favored 'Isoleucine or valine' 0 C--O 1.232 0.15 0 CA-C-O 121.018 0.437 . . . . 10.0 110.664 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 45.7 t80 -68.33 -33.09 73.67 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.013 -0.54 . . . . 10.0 110.093 179.054 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 2.2 m-85 -57.11 -52.6 64.65 Favored 'General case' 0 N--CA 1.462 0.161 0 CA-C-N 116.036 -0.529 . . . . 10.0 110.334 179.281 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' SER . . . . . 0.54 ' CB ' ' HD2' ' A' ' 8' ' ' LYS . 71.7 m -60.25 -35.59 75.85 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.655 -0.702 . . . . 10.0 111.517 179.804 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -66.02 -44.88 83.42 Favored 'General case' 0 C--O 1.235 0.336 0 CA-C-O 120.941 0.401 . . . . 10.0 110.355 179.499 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -66.68 -46.65 74.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.539 -0.755 . . . . 10.0 110.292 179.299 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 30.4 m-20 -57.43 -47.51 81.58 Favored 'General case' 0 C--O 1.231 0.108 0 CA-C-N 115.902 -0.59 . . . . 10.0 110.568 179.552 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' HIS . . . . . 0.543 ' O ' ' HG2' ' A' ' 53' ' ' GLU . 5.4 t60 -60.77 -52.61 64.38 Favored 'General case' 0 CA--C 1.521 -0.149 0 CA-C-N 116.045 -0.525 . . . . 10.0 110.635 -179.885 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 27.6 tpt180 -59.89 -43.8 94.6 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.245 -0.434 . . . . 10.0 111.458 -178.696 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.426 HD23 ' HG3' ' A' ' 72' ' ' ARG . 53.4 tp -60.56 -43.25 97.46 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 120.548 0.213 . . . . 10.0 111.485 -179.333 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -58.92 -52.62 64.94 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.428 -0.351 . . . . 10.0 111.578 -179.808 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . 0.543 ' HG2' ' O ' ' A' ' 49' ' ' HIS . 5.7 pt-20 -72.86 -24.32 60.85 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.29 -0.414 . . . . 10.0 111.642 -179.027 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 13.7 tp -73.06 -40.5 65.02 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.622 -0.263 . . . . 10.0 110.683 179.897 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 15.7 m -66.03 -38.54 88.65 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.17 0.51 . . . . 10.0 110.518 179.737 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 80.6 mmm -81.82 -17.18 48.37 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.835 -0.621 . . . . 10.0 110.4 179.338 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 54.1 t30 62.99 40.42 9.3 Favored 'General case' 0 N--CA 1.466 0.346 0 CA-C-N 115.578 -0.737 . . . . 10.0 110.638 -179.591 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 21.0 tptp -151.13 124.65 8.96 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.399 -0.819 . . . . 10.0 109.087 -179.704 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 6.0 mp -76.12 130.55 38.46 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 120.918 0.389 . . . . 10.0 111.447 -178.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 68.2 m-85 -125.4 144.7 50.39 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.976 -0.556 . . . . 10.0 110.455 179.711 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . 0.424 ' O ' ' HE1' ' A' ' 49' ' ' HIS . 0.2 OUTLIER -63.55 -59.75 4.23 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 121.134 0.492 . . . . 10.0 110.0 179.18 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 7.3 ttpp -113.42 148.08 36.54 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 107.723 -1.214 . . . . 10.0 107.723 177.466 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 45.0 mm -80.99 120.05 77.72 Favored Pre-proline 0 C--N 1.317 -0.822 0 C-N-CA 120.794 -0.362 . . . . 10.0 110.826 -179.342 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . 0.434 ' O ' HG12 ' A' ' 67' ' ' VAL . 24.6 Cg_exo -62.42 133.84 45.16 Favored 'Trans proline' 0 N--CA 1.465 -0.201 0 C-N-CA 122.409 2.073 . . . . 10.0 111.424 178.805 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -57.57 -28.59 63.7 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 120.92 0.391 . . . . 10.0 111.832 -179.215 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 94.1 p -81.26 -12.47 59.09 Favored 'General case' 0 C--O 1.252 1.205 0 C-N-CA 122.933 0.493 . . . . 0.0 110.982 -178.256 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . 0.434 HG12 ' O ' ' A' ' 64' ' ' PRO . 0.7 OUTLIER -92.82 -10.29 9.6 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.892 0 CA-C-N 119.577 1.08 . . . . 10.0 111.35 -177.622 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' TRP . . . . . . . . . . . . . 22.1 m95 -64.32 -19.71 65.61 Favored 'General case' 0 CA--C 1.531 0.229 0 CA-C-O 121.156 0.503 . . . . 10.0 111.24 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 14.9 tptp -74.67 -2.96 28.56 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.141 -0.481 . . . . 10.0 112.023 -178.79 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 62.9 m-85 -107.04 10.87 30.19 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 111.909 0.337 . . . . 10.0 111.909 -179.209 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 1.6 mp -84.26 134.44 26.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-O 120.794 0.33 . . . . 10.0 110.76 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . 0.426 ' HG3' HD23 ' A' ' 51' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--O 1.25 1.091 0 CA-C-O 118.473 -0.775 . . . . 10.0 110.654 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 3.5 pm0 . . . . . 0 C--O 1.232 0.178 0 CA-C-O 120.887 0.375 . . . . 10.0 111.2 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . -62.14 -41.43 98.26 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.171 -0.468 . . . . 10.0 111.585 -179.351 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 5' ' ' LEU . . . . . 0.403 HD23 ' SD ' ' C' ' 29' ' ' MET . 5.2 mp -84.95 0.18 52.15 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.275 -0.421 . . . . 10.0 111.634 -179.113 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 8.1 tttt -76.29 -41.13 49.75 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.898 0.38 . . . . 10.0 110.44 -179.751 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 7' ' ' ILE . . . . . . . . . . . . . 23.0 pt -90.22 -10.55 10.21 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-O 121.089 0.471 . . . . 10.0 110.53 179.475 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 34.5 tp -82.07 -11.8 58.59 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.376 -0.829 . . . . 10.0 110.398 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 9' ' ' ASN . . . . . . . . . . . . . 65.5 t30 -84.71 5.87 26.51 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.792 -0.64 . . . . 10.0 112.009 -178.77 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 10' ' ' ASN . . . . . 0.464 ' OD1' ' HB2' ' B' ' 12' ' ' ARG . 23.2 t-20 -140.04 136.43 33.66 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 121.133 0.492 . . . . 10.0 111.36 179.863 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 46.6 mt -68.7 -40.42 81.59 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-N 115.458 -0.792 . . . . 10.0 112.229 -178.722 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 12' ' ' ARG . . . . . 0.464 ' HB2' ' OD1' ' B' ' 10' ' ' ASN . 96.6 mtt180 -60.85 -43.95 97.66 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.602 0.239 . . . . 10.0 111.472 -178.544 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 13' ' ' THR . . . . . . . . . . . . . 2.4 p -74.67 -34.03 62.6 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.748 0.309 . . . . 10.0 111.124 179.673 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 8.9 tp -66.73 -39.78 88.12 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.258 -0.428 . . . . 10.0 111.517 -179.713 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 63.6 mtt180 -56.8 -36.39 69.83 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.368 -0.378 . . . . 10.0 110.926 179.905 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 16' ' ' ALA . . . . . . . . . . . . . . . -66.43 -51.9 52.13 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.868 -0.605 . . . . 10.0 111.663 -179.297 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 17' ' ' GLN . . . . . 0.478 ' O ' ' HG2' ' B' ' 20' ' ' GLU . 0.7 OUTLIER -67.79 -24.43 65.31 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.732 -0.213 . . . . 10.0 111.52 -179.058 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -76.22 1.08 16.89 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 112.151 0.426 . . . . 10.0 112.151 -179.543 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 28.5 mmt180 -90.21 -17.19 27.96 Favored 'General case' 0 C--N 1.328 -0.363 0 C-N-CA 121.135 -0.226 . . . . 10.0 111.372 -179.689 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 20' ' ' GLU . . . . . 0.478 ' HG2' ' O ' ' B' ' 17' ' ' GLN . 12.9 pt-20 -93.88 -1.88 54.16 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.245 0.545 . . . . 10.0 110.979 179.878 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 21' ' ' CYS . . . . . 1.388 ' SG ' ' HB ' ' B' ' 25' ' ' THR . 53.8 t -117.28 137.49 52.37 Favored 'General case' 0 CA--C 1.51 -0.585 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.003 178.856 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 1.7 m -73.69 158.16 35.2 Favored 'General case' 0 C--N 1.316 -0.851 0 O-C-N 123.898 0.749 . . . . 10.0 109.959 178.783 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 44.2 tp -53.75 -37.45 63.4 Favored 'General case' 0 C--N 1.333 -0.134 0 CA-C-O 120.735 0.302 . . . . 10.0 110.605 179.831 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 7.4 tp10 -57.46 -48.75 78.34 Favored 'General case' 0 C--O 1.235 0.298 0 CA-C-N 115.745 -0.661 . . . . 10.0 110.809 179.395 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 25' ' ' THR . . . . . 1.388 ' HB ' ' SG ' ' B' ' 21' ' ' CYS . 0.2 OUTLIER -65.54 -38.01 88.37 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.05 -0.523 . . . . 10.0 110.804 -179.93 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' B' B ' 26' ' ' LEU . . . . . 0.435 ' HG ' ' HG ' ' B' ' 21' ' ' CYS . 86.7 mt -63.85 -47.88 78.99 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.97 -0.559 . . . . 10.0 110.659 179.912 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 27' ' ' GLU . . . . . 0.482 ' OE1' ' HD3' ' C' ' 41' ' ' ARG . 4.9 tp10 -62.58 -36.69 83.5 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.967 0.413 . . . . 10.0 110.214 179.097 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -65.3 -49.92 67.65 Favored 'General case' 0 C--O 1.234 0.261 0 CA-C-N 115.678 -0.692 . . . . 10.0 110.743 179.839 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 29' ' ' MET . . . . . . . . . . . . . 5.3 ppp? -72.36 -25.44 61.53 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.531 -0.304 . . . . 10.0 111.753 -178.873 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 62.9 tp -64.36 -44.68 90.66 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.919 0.39 . . . . 10.0 110.001 179.325 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 31' ' ' GLU . . . . . 0.406 ' O ' HG21 ' B' ' 35' ' ' VAL . 38.8 mt-10 -64.09 -33.24 75.32 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.843 -0.617 . . . . 10.0 109.717 178.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 39.2 mmtm -62.59 -43.23 99.32 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.611 -0.722 . . . . 10.0 110.456 179.245 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 43.4 tp -75.5 -38.95 59.12 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.377 -0.374 . . . . 10.0 110.549 179.907 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 3.9 tp10 -55.18 -50.34 69.6 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.195 -0.457 . . . . 10.0 111.201 -179.818 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 35' ' ' VAL . . . . . 0.55 ' O ' ' HG3' ' B' ' 39' ' ' GLU . 12.3 m -63.29 -33.16 59.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 C-N-CA 120.897 -0.321 . . . . 10.0 111.206 -179.895 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 35.1 t -67.8 -44.82 85.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 N-CA-C 109.965 -0.383 . . . . 10.0 109.965 179.376 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 61.5 t -64.3 -38.34 82.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.413 0 N-CA-C 109.197 -0.668 . . . . 10.0 109.197 178.459 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 29.7 t-20 -61.64 -44.7 96.48 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.582 -0.735 . . . . 10.0 109.713 178.727 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 39' ' ' GLU . . . . . 0.55 ' HG3' ' O ' ' B' ' 35' ' ' VAL . 40.4 mt-10 -62.47 -47.22 84.96 Favored 'General case' 0 C--O 1.232 0.179 0 CA-C-O 121.007 0.432 . . . . 10.0 110.427 179.004 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 17.4 mmm-85 -61.09 -48.04 83.54 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.906 -0.588 . . . . 10.0 110.588 179.283 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 41' ' ' ARG . . . . . . . . . . . . . 36.9 mtt180 -61.23 -40.42 93.96 Favored 'General case' 0 C--N 1.333 -0.141 0 CA-C-N 116.368 -0.378 . . . . 10.0 110.89 179.638 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 21.2 tp10 -60.9 -47.85 84.49 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.331 -0.395 . . . . 10.0 110.815 179.88 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 90.5 mt-10 -70.69 -27.07 63.72 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 116.242 -0.435 . . . . 10.0 111.347 -179.876 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 2.3 tp10 -76.76 -32.83 57.99 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.204 -0.453 . . . . 10.0 111.014 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 45' ' ' SER . . . . . . . . . . . . . 4.3 p -83.58 -47.33 11.41 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.402 -0.363 . . . . 10.0 110.854 -179.626 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.322 0 CA-C-O 121.25 0.548 . . . . 10.0 110.729 179.891 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' C' C ' 3' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.15 0 N-CA-C 109.776 -0.453 . . . . 10.0 109.776 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 4' ' ' ALA . . . . . . . . . . . . . . . -72.34 -34.43 68.03 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.739 -0.664 . . . . 10.0 111.333 -179.271 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 5' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -72.16 -19.37 61.77 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.45 -0.341 . . . . 10.0 111.641 -179.56 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 6' ' ' LYS . . . . . . . . . . . . . 22.2 tptm -69.34 -33.12 72.63 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.734 0.302 . . . . 10.0 111.46 -178.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 7' ' ' ILE . . . . . . . . . . . . . 29.6 pt -86.49 -10.11 11.18 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 C-N-CA 120.966 -0.293 . . . . 10.0 111.427 -179.439 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 8' ' ' LEU . . . . . . . . . . . . . 2.9 mp -77.82 -20.7 52.73 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.207 0.527 . . . . 10.0 110.266 179.598 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 9' ' ' ASN . . . . . . . . . . . . . 28.1 t-20 -80.84 -15.5 56.21 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.663 0.744 . . . . 10.0 109.664 178.789 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 10' ' ' ASN . . . . . . . . . . . . . 7.4 m-80 -90.66 114.47 26.77 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.218 -0.901 . . . . 10.0 110.466 -179.419 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 11' ' ' ILE . . . . . . . . . . . . . 9.3 tp -63.63 -27.04 42.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-N 115.88 -0.6 . . . . 10.0 111.14 -179.664 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 12' ' ' ARG . . . . . . . . . . . . . 16.6 mmt180 -65.97 -42.89 89.32 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.152 -0.476 . . . . 10.0 111.496 -179.374 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 13' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -82.11 -35.33 28.67 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 120.854 0.359 . . . . 10.0 110.899 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 14' ' ' LEU . . . . . . . . . . . . . 10.2 tp -62.58 -37.92 88.1 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.952 0.406 . . . . 10.0 110.451 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 15' ' ' ARG . . . . . . . . . . . . . 16.3 mtt180 -67.78 -15.67 63.75 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.088 -0.505 . . . . 10.0 111.262 179.476 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 16' ' ' ALA . . . . . . . . . . . . . . . -98.33 -39.52 8.77 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.921 0.391 . . . . 10.0 110.912 179.909 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 17' ' ' GLN . . . . . . . . . . . . . 20.9 mm-40 -64.91 -35.89 82.61 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.002 -0.545 . . . . 10.0 111.121 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 18' ' ' ALA . . . . . . . . . . . . . . . -74.72 10.26 1.47 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.105 -0.498 . . . . 10.0 112.127 -179.355 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 19' ' ' ARG . . . . . . . . . . . . . 61.1 mtt-85 -102.02 -16.48 16.45 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.373 0.606 . . . . 10.0 109.952 179.439 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 20' ' ' GLU . . . . . . . . . . . . . 29.5 tt0 -93.01 -23.15 18.77 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.673 -0.694 . . . . 10.0 110.392 -179.826 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 21' ' ' CYS . . . . . . . . . . . . . 74.1 m -97.94 144.37 27.56 Favored 'General case' 0 CA--C 1.51 -0.56 0 CA-C-O 121.442 0.639 . . . . 0.0 111.058 -179.445 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 22' ' ' THR . . . . . . . . . . . . . 2.0 m -72.52 147.93 45.51 Favored 'General case' 0 C--O 1.238 0.482 0 CA-C-N 115.991 -0.549 . . . . 10.0 110.289 178.016 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 46.0 tp -58.06 -38.05 75.59 Favored 'General case' 0 C--N 1.333 -0.145 0 O-C-N 123.136 0.273 . . . . 10.0 111.223 179.809 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 24' ' ' GLU . . . . . . . . . . . . . 40.5 tt0 -58.2 -48.99 78.62 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.831 0.348 . . . . 10.0 110.967 -179.876 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 25' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -64.99 -36.83 85.66 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.112 -0.495 . . . . 10.0 110.865 179.763 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 26' ' ' LEU . . . . . . . . . . . . . 20.8 mt -62.07 -41.48 98.2 Favored 'General case' 0 N--CA 1.463 0.219 0 CA-C-N 115.88 -0.6 . . . . 10.0 110.216 179.366 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 27' ' ' GLU . . . . . . . . . . . . . 25.7 tt0 -65.1 -48.06 75.0 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.087 -0.506 . . . . 10.0 110.571 179.348 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 28' ' ' GLU . . . . . . . . . . . . . 7.5 tt0 -57.29 -46.28 83.3 Favored 'General case' 0 C--O 1.234 0.267 0 CA-C-N 116.138 -0.483 . . . . 10.0 111.354 -179.128 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 29' ' ' MET . . . . . 0.403 ' SD ' HD23 ' B' ' 5' ' ' LEU . 19.2 ptp -75.83 -25.15 56.01 Favored 'General case' 0 C--N 1.326 -0.427 0 C-N-CA 120.743 -0.383 . . . . 10.0 111.667 -179.54 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 30' ' ' LEU . . . . . . . . . . . . . 26.3 tp -64.53 -44.92 89.34 Favored 'General case' 0 CA--C 1.52 -0.182 0 N-CA-C 109.541 -0.54 . . . . 10.0 109.541 179.088 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 31' ' ' GLU . . . . . . . . . . . . . 68.8 mt-10 -64.03 -31.38 72.55 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.773 -0.648 . . . . 10.0 109.911 179.233 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 32' ' ' LYS . . . . . 0.491 ' O ' HG22 ' C' ' 36' ' ' VAL . 86.3 mttt -70.96 -36.4 72.55 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.877 -0.601 . . . . 10.0 110.533 179.358 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 33' ' ' LEU . . . . . 0.437 ' O ' HG22 ' C' ' 37' ' ' VAL . 53.7 tp -73.41 -37.68 65.83 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 109.835 -0.431 . . . . 10.0 109.835 178.776 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 34' ' ' GLU . . . . . . . . . . . . . 15.5 tp10 -53.4 -49.48 67.18 Favored 'General case' 0 C--O 1.234 0.259 0 CA-C-N 115.47 -0.786 . . . . 10.0 111.02 179.791 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 35' ' ' VAL . . . . . 0.468 ' O ' ' HG3' ' C' ' 39' ' ' GLU . 16.1 m -68.11 -34.36 66.2 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 C-N-CA 120.886 -0.325 . . . . 10.0 111.379 -179.429 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 36' ' ' VAL . . . . . 0.491 HG22 ' O ' ' C' ' 32' ' ' LYS . 65.7 t -62.62 -46.55 96.12 Favored 'Isoleucine or valine' 0 C--O 1.233 0.187 0 N-CA-C 109.586 -0.524 . . . . 10.0 109.586 179.139 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 37' ' ' VAL . . . . . 0.437 HG22 ' O ' ' C' ' 33' ' ' LEU . 43.4 t -64.69 -39.54 85.98 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.267 0 N-CA-C 109.365 -0.606 . . . . 10.0 109.365 178.738 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 38' ' ' ASN . . . . . . . . . . . . . 1.1 t30 -59.52 -45.82 90.64 Favored 'General case' 0 C--O 1.234 0.237 0 CA-C-N 115.926 -0.579 . . . . 10.0 110.352 179.317 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 39' ' ' GLU . . . . . 0.468 ' HG3' ' O ' ' C' ' 35' ' ' VAL . 31.0 mt-10 -57.93 -42.16 84.24 Favored 'General case' 0 C--N 1.333 -0.136 0 CA-C-O 121.393 0.616 . . . . 10.0 109.417 178.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 40' ' ' ARG . . . . . . . . . . . . . 7.1 mmm180 -65.73 -38.81 90.16 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.038 -0.983 . . . . 10.0 110.337 179.229 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 41' ' ' ARG . . . . . 0.482 ' HD3' ' OE1' ' B' ' 27' ' ' GLU . 8.2 mmm180 -61.2 -42.94 99.48 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.811 -0.631 . . . . 10.0 109.618 178.631 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 42' ' ' GLU . . . . . . . . . . . . . 18.8 mt-10 -62.29 -43.94 97.66 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.428 -0.805 . . . . 10.0 111.159 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 43' ' ' GLU . . . . . . . . . . . . . 60.5 mt-10 -60.42 -52.29 65.87 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.241 -0.436 . . . . 10.0 111.244 -179.698 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 44' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.477 0 CA-C-N 116.295 -0.411 . . . . 10.0 111.122 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 4.5 mp . . . . . 0 N--CA 1.479 0.98 0 N-CA-C 109.956 -0.387 . . . . 10.0 109.956 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -85.07 159.2 20.24 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 120.874 0.369 . . . . 10.0 111.199 -179.339 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 66.8 tttt -59.84 -33.9 72.39 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.734 -0.666 . . . . 10.0 110.783 179.597 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -59.71 -41.46 90.87 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.402 -0.817 . . . . 10.0 111.506 179.872 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -60.98 -50.33 73.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.973 -0.558 . . . . 10.0 110.879 -179.858 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 18.2 m-85 -64.54 -37.75 88.62 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.889 -0.596 . . . . 10.0 110.44 -179.8 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 38.9 tp -61.04 -40.96 95.61 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.896 -0.593 . . . . 10.0 110.694 -179.802 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 18.5 mmt -70.12 -36.94 75.17 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.981 0.419 . . . . 10.0 110.297 179.594 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.59 -34.58 78.56 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.995 -0.548 . . . . 10.0 110.521 179.65 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 52.7 mt -91.13 -11.62 37.98 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.383 -0.371 . . . . 10.0 111.606 -179.677 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -68.84 -21.64 64.27 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.068 0.461 . . . . 10.0 110.889 -179.934 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . 0.429 HH11 ' HD3' ' A' ' 17' ' ' ARG . 18.5 mtm180 -89.34 -0.76 57.72 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.106 -0.497 . . . . 10.0 110.93 -179.75 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 26.7 m -97.34 131.17 44.27 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 120.797 0.332 . . . . 10.0 110.35 -179.78 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . 0.459 ' C ' ' H ' ' A' ' 21' ' ' ILE . 7.2 mm-40 -129.02 -175.93 3.71 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.013 -0.54 . . . . 10.0 110.642 -179.81 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' THR . . . . . 0.4 ' O ' ' HB ' ' A' ' 21' ' ' ILE . 7.6 m 73.98 -18.06 0.42 Allowed 'General case' 0 CA--C 1.534 0.357 0 O-C-N 123.685 0.616 . . . . 10.0 111.521 179.257 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . 0.459 ' H ' ' C ' ' A' ' 19' ' ' GLN . 75.7 mt 73.48 -44.57 0.14 Allowed 'Isoleucine or valine' 0 N--CA 1.469 0.506 0 C-N-CA 123.345 0.658 . . . . 10.0 111.463 179.674 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -55.18 -40.62 70.91 Favored 'General case' 0 N--CA 1.466 0.361 0 C-N-CA 122.884 0.474 . . . . 10.0 110.866 179.797 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 2.1 m -72.78 -33.66 66.44 Favored 'General case' 0 CA--C 1.533 0.304 0 CA-C-N 115.83 -0.623 . . . . 10.0 110.907 179.358 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.427 ' O ' HG12 ' A' ' 28' ' ' ILE . 16.6 tp -68.79 -40.06 79.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.963 -0.562 . . . . 10.0 110.004 179.598 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 3.8 tp10 -63.87 -22.83 67.1 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.492 -0.776 . . . . 10.0 110.955 179.761 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 73.7 mtt85 -92.12 -40.67 10.91 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.501 -0.318 . . . . 10.0 111.799 -179.503 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . 0.401 HG11 ' O ' ' A' ' 24' ' ' LEU . 6.5 p -64.19 -34.17 67.2 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.32 0 CA-C-N 116.555 -0.293 . . . . 10.0 111.675 -179.256 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . 0.427 HG12 ' O ' ' A' ' 24' ' ' LEU . 23.3 pt -77.0 -27.86 16.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 C-N-CA 121.086 -0.246 . . . . 10.0 111.111 179.846 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 53.1 tp10 -73.42 -44.55 58.07 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.052 0.453 . . . . 10.0 110.037 179.67 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 23.2 mtpp -67.84 -41.98 82.12 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.841 -0.618 . . . . 10.0 110.583 179.696 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 59.6 t30 -68.73 -23.16 64.31 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.901 -0.591 . . . . 10.0 111.234 -179.485 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 28.0 ttmt -59.53 -33.14 71.02 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.385 -0.37 . . . . 10.0 111.234 -179.562 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 12.7 m-85 -94.77 5.21 52.53 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.603 0.24 . . . . 10.0 111.318 -179.217 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 30.0 mt-10 -111.22 -21.14 12.05 Favored 'General case' 0 C--N 1.324 -0.521 0 C-N-CA 121.008 -0.277 . . . . 10.0 111.451 -179.241 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 84.1 mt -77.33 169.59 18.04 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.936 0.398 . . . . 10.0 111.315 -179.41 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' SER . . . . . 0.493 ' O ' ' HB2' ' A' ' 37' ' ' ASP . 1.4 m -84.3 -9.66 58.29 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.156 -0.475 . . . . 10.0 110.748 -179.105 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . 0.493 ' HB2' ' O ' ' A' ' 36' ' ' SER . 97.0 m-20 79.67 -22.88 0.26 Allowed 'General case' 0 C--O 1.252 1.187 0 C-N-CA 123.981 0.913 . . . . 0.0 110.983 177.552 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 1.1 p-10 -80.69 -27.79 36.93 Favored 'General case' 0 C--N 1.33 -0.248 0 O-C-N 120.775 -1.203 . . . . 10.0 110.588 179.436 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -102.59 3.74 37.64 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 121.293 0.568 . . . . 10.0 110.082 179.635 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 25.0 tp -66.6 -20.26 65.96 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.292 -0.867 . . . . 10.0 110.338 179.49 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -59.97 -42.81 94.95 Favored 'General case' 0 CA--C 1.53 0.176 0 CA-C-N 115.804 -0.635 . . . . 10.0 111.614 -179.858 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 4.7 m -82.17 -21.29 9.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 C-N-CA 120.927 -0.309 . . . . 10.0 110.83 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 75.5 t80 -67.95 -41.2 82.86 Favored 'General case' 0 C--N 1.33 -0.271 0 N-CA-C 109.478 -0.564 . . . . 10.0 109.478 179.119 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 2.9 m-85 -64.9 -34.19 77.81 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.846 -0.615 . . . . 10.0 110.08 178.806 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 1.6 t -64.88 -28.63 69.67 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.864 -0.607 . . . . 10.0 110.114 179.119 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -82.22 -43.98 16.94 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.89 -0.595 . . . . 10.0 109.982 178.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -60.06 -50.56 73.23 Favored 'General case' 0 C--N 1.333 -0.116 0 CA-C-N 115.848 -0.614 . . . . 10.0 110.945 179.901 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . 0.423 ' OD2' ' HA ' ' B' ' 10' ' ' ASN . 65.3 m-20 -57.84 -51.68 68.61 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.634 -0.712 . . . . 10.0 110.361 179.632 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' HIS . . . . . 0.436 ' CE1' HG12 ' A' ' 63' ' ' ILE . 4.6 t60 -58.46 -43.08 88.71 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.316 -0.856 . . . . 10.0 111.667 -179.123 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 30.3 tpt180 -66.58 -41.32 88.73 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.599 -0.273 . . . . 10.0 110.957 -179.614 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 31.5 tp -66.26 -38.3 87.49 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.846 0.355 . . . . 10.0 110.842 -179.797 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -58.59 -54.16 50.21 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.06 -0.518 . . . . 10.0 111.662 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -71.01 -30.79 67.12 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.262 -0.426 . . . . 10.0 111.466 -179.068 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 7.8 tp -66.65 -38.56 87.14 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.658 0.266 . . . . 10.0 111.143 -179.647 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 16.3 m -68.52 -33.57 74.35 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 116.407 -0.361 . . . . 10.0 110.344 179.834 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 1.5 tmm? -86.42 -9.39 56.38 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.384 -0.371 . . . . 10.0 110.968 179.863 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 38.2 t30 62.81 33.51 15.21 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.607 -0.724 . . . . 10.0 111.296 179.788 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 7.9 tptp -151.57 126.36 9.64 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.564 -0.289 . . . . 10.0 110.27 -179.913 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 8.7 mp -70.22 121.77 18.21 Favored 'General case' 0 C--O 1.236 0.377 0 CA-C-O 120.823 0.344 . . . . 10.0 111.007 -179.448 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 29.0 m-85 -126.62 121.26 31.67 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.908 -0.587 . . . . 10.0 111.24 -179.315 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 15.2 m-20 -65.68 -39.19 91.03 Favored 'General case' 0 C--N 1.33 -0.244 0 N-CA-C 108.931 -0.766 . . . . 10.0 108.931 178.552 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 23.8 mttt -112.32 138.35 49.17 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 108.174 -1.047 . . . . 10.0 108.174 178.161 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.436 HG12 ' CE1' ' A' ' 49' ' ' HIS . 50.0 mm -102.66 121.43 49.64 Favored Pre-proline 0 C--N 1.319 -0.728 0 C-N-CA 120.88 -0.328 . . . . 10.0 111.556 -178.851 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . 0.427 ' O ' HG12 ' A' ' 67' ' ' VAL . 4.7 Cg_exo -75.73 119.29 5.38 Favored 'Trans proline' 0 N--CA 1.455 -0.748 0 C-N-CA 122.126 1.884 . . . . 10.0 109.683 177.089 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -42.15 -37.4 1.43 Allowed 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 113.286 0.847 . . . . 10.0 113.286 -178.867 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 88.6 p -58.73 -29.3 66.6 Favored 'General case' 0 C--O 1.255 1.371 0 O-C-N 121.466 -0.771 . . . . 0.0 110.968 -177.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . 0.427 HG12 ' O ' ' A' ' 64' ' ' PRO . 1.8 p -74.67 -22.09 17.33 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.817 0 CA-C-N 119.124 0.874 . . . . 10.0 112.247 -176.703 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' TRP . . . . . 0.432 ' HB3' HG21 ' C' ' 35' ' ' VAL . 39.3 m95 -64.91 -16.56 63.42 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 112.293 0.479 . . . . 10.0 112.293 -178.471 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 4.3 tppp? -73.14 -10.19 59.52 Favored 'General case' 0 CA--C 1.535 0.375 0 CA-C-O 121.323 0.582 . . . . 10.0 110.397 179.808 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 72.7 m-85 -107.46 2.2 24.06 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.142 -0.481 . . . . 10.0 111.343 -179.496 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 2.9 mp -120.52 127.76 75.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 120.871 0.367 . . . . 10.0 111.637 -179.206 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . 0.516 ' HA ' ' NH2' ' B' ' 15' ' ' ARG . 15.0 mmt85 . . . . . 0 C--O 1.244 0.797 0 CA-C-O 118.23 -0.89 . . . . 10.0 110.288 179.475 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 3' ' ' GLU . . . . . 0.41 ' H ' ' CD ' ' B' ' 3' ' ' GLU . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.259 0 CA-C-O 121.004 0.431 . . . . 10.0 110.336 . . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . -74.69 -45.97 40.86 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.067 -0.515 . . . . 10.0 110.76 179.912 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 10.8 mp -65.64 -19.61 65.98 Favored 'General case' 0 N--CA 1.464 0.273 0 CA-C-O 121.147 0.499 . . . . 10.0 111.074 -179.528 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 6' ' ' LYS . . . . . 0.479 ' HZ3' HG22 ' B' ' 7' ' ' ILE . 21.4 tttm -64.38 -40.89 96.72 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.609 -0.723 . . . . 10.0 111.334 -179.892 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 7' ' ' ILE . . . . . 0.479 HG22 ' HZ3' ' B' ' 6' ' ' LYS . 1.1 pp -101.91 -10.68 9.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-O 120.762 0.315 . . . . 10.0 111.828 -179.221 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -85.19 -10.14 56.99 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 116.464 -0.334 . . . . 10.0 111.702 -179.037 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 9' ' ' ASN . . . . . . . . . . . . . 38.1 t30 -99.86 26.33 6.42 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.122 0.487 . . . . 10.0 111.296 -179.097 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 10' ' ' ASN . . . . . 0.492 ' OD1' ' HB2' ' B' ' 12' ' ' ARG . 5.0 t-20 -140.14 126.09 19.6 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.228 -0.442 . . . . 10.0 110.515 179.693 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 11' ' ' ILE . . . . . 0.431 HD13 ' NH2' ' B' ' 15' ' ' ARG . 11.2 pt -63.82 -26.33 40.36 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.184 0 CA-C-N 116.226 -0.443 . . . . 10.0 112.062 -179.506 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 12' ' ' ARG . . . . . 0.492 ' HB2' ' OD1' ' B' ' 10' ' ' ASN . 22.6 mmt85 -66.55 -53.59 33.1 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.501 -0.318 . . . . 10.0 111.092 -179.259 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 13' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -71.34 -38.95 71.62 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.39 -0.368 . . . . 10.0 111.753 -179.838 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 15.9 tp -60.5 -42.35 96.2 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.219 -0.446 . . . . 10.0 111.594 -179.4 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 15' ' ' ARG . . . . . 0.516 ' NH2' ' HA ' ' A' ' 72' ' ' ARG . 14.1 mtm180 -72.56 -12.11 60.93 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 111.663 0.245 . . . . 10.0 111.663 -179.213 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 16' ' ' ALA . . . . . . . . . . . . . . . -95.65 -42.55 8.34 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.211 0.529 . . . . 10.0 110.777 179.543 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 17' ' ' GLN . . . . . 0.435 ' O ' ' HG2' ' B' ' 20' ' ' GLU . 9.6 tp60 -71.96 -30.39 65.24 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.724 -0.671 . . . . 10.0 111.283 -179.54 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -76.47 0.04 21.23 Favored 'General case' 0 C--N 1.33 -0.255 0 N-CA-C 112.23 0.456 . . . . 10.0 112.23 -179.295 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 13.4 mmm180 -76.43 -15.64 59.88 Favored 'General case' 0 C--N 1.331 -0.225 0 C-N-CA 121.074 -0.25 . . . . 10.0 111.267 -179.602 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 20' ' ' GLU . . . . . 0.435 ' HG2' ' O ' ' B' ' 17' ' ' GLN . 12.9 pt-20 -90.18 7.38 38.32 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.907 0.384 . . . . 10.0 110.841 179.796 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 21' ' ' CYS . . . . . 1.396 ' SG ' ' HB ' ' B' ' 25' ' ' THR . 53.8 t -122.73 138.72 54.53 Favored 'General case' 0 CA--C 1.511 -0.548 0 CA-C-N 116.54 -0.3 . . . . 0.0 110.994 178.814 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -74.72 166.32 23.77 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 116.243 -0.435 . . . . 10.0 110.069 178.586 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 55.8 tp -55.95 -40.34 73.05 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.497 0.189 . . . . 10.0 110.823 179.76 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 24' ' ' GLU . . . . . 0.456 ' O ' ' HB2' ' B' ' 28' ' ' GLU . 0.7 OUTLIER -57.68 -51.61 68.84 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.169 -0.469 . . . . 10.0 111.268 179.681 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' B' B ' 25' ' ' THR . . . . . 1.396 ' HB ' ' SG ' ' B' ' 21' ' ' CYS . 0.1 OUTLIER -63.12 -36.0 82.15 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.98 -0.555 . . . . 10.0 111.327 -179.365 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' B' B ' 26' ' ' LEU . . . . . 0.616 ' HG ' ' HG ' ' B' ' 21' ' ' CYS . 70.0 mt -70.28 -44.17 68.94 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.557 -0.292 . . . . 10.0 111.019 -179.834 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 27' ' ' GLU . . . . . 0.58 ' OE2' ' HD3' ' C' ' 41' ' ' ARG . 96.9 mt-10 -66.9 -36.28 81.92 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.216 0.532 . . . . 10.0 109.8 179.01 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 28' ' ' GLU . . . . . 0.456 ' HB2' ' O ' ' B' ' 24' ' ' GLU . 1.2 tm-20 -61.62 -46.18 90.91 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 114.998 -1.001 . . . . 10.0 111.094 -179.876 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 29' ' ' MET . . . . . 0.441 ' HG3' ' O ' ' B' ' 26' ' ' LEU . 4.8 ppp? -77.04 -23.8 52.05 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.463 -0.335 . . . . 10.0 111.875 -179.251 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 63.2 tp -61.43 -51.62 67.98 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 120.75 0.309 . . . . 10.0 111.143 -179.741 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 15.2 mt-10 -63.71 -27.24 69.07 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.261 -0.427 . . . . 10.0 110.832 -179.873 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 45.6 mttm -64.56 -46.38 83.06 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.267 -0.424 . . . . 10.0 110.304 179.299 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 32.2 tp -75.37 -32.77 60.93 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.8 0.333 . . . . 10.0 110.492 -179.862 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -57.3 -47.56 81.18 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.978 -0.555 . . . . 10.0 110.786 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 35' ' ' VAL . . . . . . . . . . . . . 34.0 m -66.65 -33.63 64.72 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.166 0 C-N-CA 120.929 -0.309 . . . . 10.0 110.938 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 74.9 t -64.35 -53.02 48.16 Favored 'Isoleucine or valine' 0 C--O 1.232 0.16 0 CA-C-O 120.746 0.308 . . . . 10.0 110.203 179.183 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 48.1 t -62.83 -36.2 74.45 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-N 116.212 -0.449 . . . . 10.0 109.903 179.37 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 23.2 t30 -59.81 -51.56 69.22 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.903 -0.59 . . . . 10.0 110.078 178.691 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 92.3 mt-10 -60.07 -47.52 85.55 Favored 'General case' 0 CA--C 1.517 -0.291 0 CA-C-N 115.826 -0.625 . . . . 10.0 110.556 179.586 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 28.3 mmm-85 -58.62 -40.71 84.08 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.065 -0.516 . . . . 10.0 110.023 179.173 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 41' ' ' ARG . . . . . . . . . . . . . 74.1 mtt180 -58.91 -52.78 64.26 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.803 -0.635 . . . . 10.0 109.945 178.906 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 1.5 tp10 -58.17 -47.46 83.31 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.941 -0.572 . . . . 10.0 111.199 -179.662 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 61.2 mt-10 -59.6 -45.77 90.93 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.162 -0.472 . . . . 10.0 111.362 -179.363 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 47.5 mt-10 -81.71 6.72 14.44 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.927 0.394 . . . . 10.0 111.775 -179.331 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 45' ' ' SER . . . . . . . . . . . . . 71.1 m -115.16 -29.54 6.59 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.942 0.401 . . . . 10.0 109.963 178.163 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 115.887 -0.597 . . . . 10.0 110.604 179.205 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' C' C ' 3' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.176 0 CA-C-O 120.932 0.396 . . . . 10.0 110.647 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 4' ' ' ALA . . . . . . . . . . . . . . . -63.06 -39.77 95.7 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.188 0.518 . . . . 10.0 110.669 -179.804 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 5' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -79.12 -3.67 46.62 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.854 -0.612 . . . . 10.0 110.725 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 6' ' ' LYS . . . . . . . . . . . . . 23.3 tptm -85.68 -53.86 4.89 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.236 -0.438 . . . . 10.0 110.179 179.837 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 7' ' ' ILE . . . . . . . . . . . . . 9.7 pt -68.49 -24.76 29.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-N 115.942 -0.572 . . . . 10.0 111.743 -179.703 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 8' ' ' LEU . . . . . . . . . . . . . 3.9 mp -73.96 -10.8 60.01 Favored 'General case' 0 CA--C 1.532 0.254 0 CA-C-O 120.83 0.347 . . . . 10.0 111.478 179.893 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 9' ' ' ASN . . . . . . . . . . . . . 7.0 t-20 -89.43 2.93 53.81 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.22 0.534 . . . . 10.0 109.712 179.26 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 10' ' ' ASN . . . . . 0.518 ' HB3' ' OG1' ' C' ' 13' ' ' THR . 58.2 t-20 -118.33 119.67 35.33 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.938 -0.574 . . . . 10.0 110.051 179.69 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' C' C ' 11' ' ' ILE . . . . . . . . . . . . . 10.0 tp -64.4 -28.34 44.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 115.904 -0.589 . . . . 10.0 111.927 -179.079 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 12' ' ' ARG . . . . . . . . . . . . . 40.3 mmt180 -65.77 -51.04 62.38 Favored 'General case' 0 C--O 1.234 0.25 0 CA-C-O 120.748 0.309 . . . . 10.0 110.797 -179.424 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 13' ' ' THR . . . . . 0.518 ' OG1' ' HB3' ' C' ' 10' ' ' ASN . 0.3 OUTLIER -71.77 -35.93 70.2 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.016 -0.538 . . . . 10.0 110.713 179.887 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' C' C ' 14' ' ' LEU . . . . . . . . . . . . . 15.7 tp -59.66 -44.82 93.41 Favored 'General case' 0 N--CA 1.456 -0.167 0 CA-C-N 115.838 -0.619 . . . . 10.0 110.638 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 15' ' ' ARG . . . . . . . . . . . . . 15.1 mtt85 -66.43 -27.97 68.24 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.5 -0.318 . . . . 10.0 111.149 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 16' ' ' ALA . . . . . . . . . . . . . . . -79.15 -48.46 14.24 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.339 -0.391 . . . . 10.0 111.369 -179.563 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 17' ' ' GLN . . . . . . . . . . . . . 50.4 tt0 -66.89 -36.82 83.16 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.26 -0.427 . . . . 10.0 111.394 -179.387 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 18' ' ' ALA . . . . . . . . . . . . . . . -67.72 -20.93 65.32 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.857 0.36 . . . . 10.0 111.527 -179.834 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 19' ' ' ARG . . . . . . . . . . . . . 53.0 mtt180 -80.74 -1.69 43.82 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.842 0.354 . . . . 10.0 111.237 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 20' ' ' GLU . . . . . . . . . . . . . 24.9 mt-10 -96.14 18.14 14.21 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.102 0.477 . . . . 10.0 110.687 179.9 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 21' ' ' CYS . . . . . . . . . . . . . 29.5 p -153.57 162.64 41.07 Favored 'General case' 0 C--N 1.318 -0.777 0 C-N-CA 123.533 0.733 . . . . 0.0 110.939 178.868 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 22' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -79.89 166.71 21.39 Favored 'General case' 0 C--N 1.318 -0.778 0 O-C-N 123.832 0.707 . . . . 10.0 111.083 179.254 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 46.1 tp -60.47 -37.22 80.32 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.053 -0.521 . . . . 10.0 110.405 -179.833 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 24' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -52.59 -50.6 62.69 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.159 -0.928 . . . . 10.0 112.007 -179.881 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 25' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -67.78 -37.45 82.08 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.865 0.364 . . . . 10.0 111.371 -179.282 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' C' C ' 26' ' ' LEU . . . . . . . . . . . . . 46.1 mt -69.1 -29.42 67.5 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.086 0.469 . . . . 10.0 110.781 -179.847 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 27' ' ' GLU . . . . . . . . . . . . . 5.7 tt0 -68.24 -55.75 11.13 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.638 -0.71 . . . . 10.0 111.648 -179.336 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 28' ' ' GLU . . . . . . . . . . . . . 5.4 tt0 -65.79 -16.92 64.24 Favored 'General case' 0 N--CA 1.464 0.241 0 CA-C-O 120.723 0.297 . . . . 10.0 111.42 -178.814 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 29' ' ' MET . . . . . . . . . . . . . 3.4 ptp -87.69 -24.58 23.83 Favored 'General case' 0 C--N 1.326 -0.436 0 C-N-CA 120.315 -0.554 . . . . 10.0 109.993 178.819 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 30' ' ' LEU . . . . . . . . . . . . . 15.0 tp -75.86 -47.28 26.17 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.315 -0.402 . . . . 10.0 110.354 179.733 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 31' ' ' GLU . . . . . . . . . . . . . 7.7 pt-20 -57.9 -37.43 74.01 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.961 -0.563 . . . . 10.0 110.891 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 32' ' ' LYS . . . . . 0.587 ' O ' HG22 ' C' ' 36' ' ' VAL . 86.0 mttt -74.73 -28.06 60.63 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.281 -0.418 . . . . 10.0 111.183 179.893 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' C' C ' 33' ' ' LEU . . . . . . . . . . . . . 32.2 tp -77.85 -47.57 18.49 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 111.752 0.279 . . . . 10.0 111.752 -179.163 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 34' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -60.35 -35.13 74.95 Favored 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 112.158 0.429 . . . . 10.0 112.158 -178.421 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 35' ' ' VAL . . . . . 0.432 HG21 ' HB3' ' A' ' 68' ' ' TRP . 33.8 m -72.77 -33.51 44.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 C-N-CA 120.946 -0.301 . . . . 10.0 111.512 -179.852 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' C' C ' 36' ' ' VAL . . . . . 0.587 HG22 ' O ' ' C' ' 32' ' ' LYS . 59.7 t -63.12 -40.64 89.79 Favored 'Isoleucine or valine' 0 C--O 1.233 0.2 0 N-CA-C 108.851 -0.796 . . . . 10.0 108.851 178.621 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' C' C ' 37' ' ' VAL . . . . . . . . . . . . . 44.9 t -67.93 -39.06 81.03 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 115.391 -0.822 . . . . 10.0 109.218 178.326 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 38' ' ' ASN . . . . . 0.588 ' O ' ' HB2' ' C' ' 41' ' ' ARG . 4.6 t-20 -63.57 -39.3 94.04 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.662 -0.699 . . . . 10.0 110.717 179.857 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' C' C ' 39' ' ' GLU . . . . . 0.516 ' OE1' ' HD3' ' B' ' 15' ' ' ARG . 37.8 mt-10 -66.66 -39.76 88.34 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.057 0.456 . . . . 10.0 110.058 179.159 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' C' C ' 40' ' ' ARG . . . . . . . . . . . . . 10.3 mmm180 -65.61 -25.63 67.47 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.998 -0.546 . . . . 10.0 109.567 178.615 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 41' ' ' ARG . . . . . 0.588 ' HB2' ' O ' ' C' ' 38' ' ' ASN . 5.2 mmm-85 -64.7 -60.55 2.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.191 -0.913 . . . . 10.0 110.58 179.7 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' C' C ' 42' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -59.49 -33.78 71.76 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.206 0.527 . . . . 10.0 110.312 179.76 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 43' ' ' GLU . . . . . . . . . . . . . 30.9 tt0 -62.0 -45.66 92.65 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.603 -0.726 . . . . 10.0 110.576 179.39 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 44' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.128 -0.487 . . . . 10.0 111.117 -179.557 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.515 ' HB2' ' CZ ' ' A' ' 11' ' ' TYR . 18.1 mt . . . . . 0 N--CA 1.479 0.997 0 CA-C-O 120.821 0.343 . . . . 10.0 110.315 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -68.77 155.23 40.54 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.944 -0.571 . . . . 10.0 111.116 179.799 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 24.9 tttt -58.36 -40.17 81.54 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.099 -0.5 . . . . 10.0 110.94 -179.902 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -69.44 -28.29 65.99 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.916 -0.584 . . . . 10.0 111.618 179.624 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -64.14 -50.44 68.22 Favored 'General case' 0 N--CA 1.464 0.246 0 CA-C-O 121.044 0.449 . . . . 10.0 110.857 -179.606 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . 0.515 ' CZ ' ' HB2' ' A' ' 6' ' ' LEU . 46.6 m-85 -65.13 -35.72 81.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.801 -0.636 . . . . 10.0 109.862 179.642 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 60.9 tp -59.88 -42.72 94.4 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.798 -0.637 . . . . 10.0 110.752 179.471 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 84.2 mmm -67.57 -39.85 84.89 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.233 -0.439 . . . . 10.0 110.86 -179.889 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.33 -37.69 83.71 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.023 0.44 . . . . 10.0 110.52 179.591 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 97.8 mt -78.23 -15.72 58.52 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.306 -0.407 . . . . 10.0 111.257 -179.413 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . 0.499 ' HA ' ' NE ' ' A' ' 50' ' ' ARG . 55.3 mtt180 -77.1 -6.94 54.74 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.143 0.497 . . . . 10.0 110.318 179.243 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 11.2 mmm-85 -84.41 -13.44 52.18 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.726 -0.67 . . . . 10.0 109.209 178.477 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 6.2 m -90.12 138.63 31.36 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.322 -0.854 . . . . 10.0 110.066 179.432 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 3.8 mm-40 -130.28 178.27 6.71 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.438 -0.347 . . . . 10.0 110.477 -179.435 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER 64.0 0.32 0.95 Allowed 'General case' 0 N--CA 1.47 0.54 0 N-CA-C 113.172 0.804 . . . . 10.0 113.172 178.671 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 68.3 mt 71.79 -43.54 0.13 Allowed 'Isoleucine or valine' 0 N--CA 1.471 0.588 0 C-N-CA 122.964 0.506 . . . . 10.0 111.414 -179.337 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 8.1 t70 -53.86 -47.86 70.59 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 111.858 0.318 . . . . 10.0 111.858 -179.821 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -59.45 -39.82 84.83 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.993 0.425 . . . . 10.0 110.347 179.562 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.52 ' O ' HG12 ' A' ' 28' ' ' ILE . 24.9 tp -66.65 -44.48 81.8 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.74 -0.664 . . . . 10.0 109.797 179.508 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 8.1 tp10 -56.79 -41.34 77.54 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.531 -0.758 . . . . 10.0 111.305 179.887 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 3.3 mtt180 -79.29 -38.11 36.17 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.946 -0.57 . . . . 10.0 112.257 -178.871 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . 0.436 HG11 ' O ' ' A' ' 24' ' ' LEU . 4.4 p -69.1 -34.91 66.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 N-CA-C 112.146 0.424 . . . . 10.0 112.146 -178.519 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . 0.52 HG12 ' O ' ' A' ' 24' ' ' LEU . 45.8 pt -74.84 -25.81 19.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-O 121.052 0.453 . . . . 10.0 110.564 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 19.3 tp10 -79.17 -45.01 20.77 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.054 -0.521 . . . . 10.0 110.811 179.67 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 33.0 tttp -69.52 -44.46 70.95 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.301 -0.409 . . . . 10.0 111.547 -178.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 7.9 t30 -70.8 -12.25 61.44 Favored 'General case' 0 N--CA 1.464 0.241 0 CA-C-N 116.238 -0.437 . . . . 10.0 111.481 -178.737 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 38.6 ttmt -59.2 -46.05 89.47 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.196 -0.457 . . . . 10.0 111.725 -179.633 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -83.96 -8.18 59.23 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.272 -0.422 . . . . 10.0 111.299 -178.694 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 79.5 mt-10 -99.19 3.43 46.44 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 116.252 -0.431 . . . . 10.0 111.53 -179.151 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 40.2 mt -92.3 171.2 9.22 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.012 -0.54 . . . . 10.0 110.312 178.933 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -93.21 1.2 57.18 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 116.334 -0.394 . . . . 10.0 110.39 -179.663 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 97.2 m-20 73.9 -1.61 3.02 Favored 'General case' 0 C--O 1.252 1.213 0 C-N-CA 124.874 1.27 . . . . 0.0 111.049 179.11 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 27.3 t-20 -97.47 -39.9 8.94 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-O 121.458 0.647 . . . . 10.0 109.409 179.423 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -84.42 -5.66 59.3 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 114.873 -1.058 . . . . 10.0 109.941 179.598 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 48.8 tp -60.43 -28.87 68.61 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.616 -0.72 . . . . 10.0 110.577 179.619 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -62.1 -55.08 32.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.86 -0.609 . . . . 10.0 111.042 -179.864 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 11.8 m -73.96 -23.4 18.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.392 -0.367 . . . . 10.0 111.293 -179.598 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 52.3 t80 -64.99 -40.35 94.83 Favored 'General case' 0 C--O 1.235 0.316 0 CA-C-N 116.392 -0.367 . . . . 10.0 110.065 179.504 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 3.0 m-85 -61.81 -47.24 85.97 Favored 'General case' 0 CA--C 1.52 -0.211 0 CA-C-N 116.003 -0.544 . . . . 10.0 110.259 179.299 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 23.0 m -60.14 -38.05 81.92 Favored 'General case' 0 C--O 1.237 0.43 0 CA-C-N 115.816 -0.629 . . . . 10.0 111.634 179.867 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -67.49 -43.05 81.86 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.033 -0.531 . . . . 10.0 110.42 179.865 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -66.13 -44.85 83.04 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.928 -0.578 . . . . 10.0 110.377 179.337 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 48.7 m-20 -58.65 -42.69 88.96 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.683 -0.689 . . . . 10.0 110.155 179.287 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 5.1 t60 -63.35 -47.61 81.44 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.79 -0.641 . . . . 10.0 110.342 179.72 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . 0.499 ' NE ' ' HA ' ' A' ' 16' ' ' ARG . 30.5 tpt180 -62.85 -38.2 89.85 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.615 -0.72 . . . . 10.0 111.082 -179.458 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 32.3 tp -69.78 -42.28 74.0 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.519 -0.31 . . . . 10.0 110.782 -179.813 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -59.83 -49.4 77.84 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 112.101 0.408 . . . . 10.0 112.101 -179.724 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 16.5 pt-20 -67.0 -33.38 75.44 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.71 0.29 . . . . 10.0 111.266 -179.376 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 8.1 tp -72.97 -35.62 66.96 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.964 0.411 . . . . 10.0 111.02 -179.585 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 48.2 m -66.08 -31.73 72.78 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.311 -0.404 . . . . 10.0 111.315 -179.611 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 79.2 mmm -98.24 -3.71 36.85 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.725 -0.216 . . . . 10.0 111.169 179.66 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 63.5 t30 57.99 44.07 20.17 Favored 'General case' 0 N--CA 1.464 0.257 0 CA-C-O 121.608 0.718 . . . . 10.0 110.628 -179.834 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 15.6 tptp -158.82 116.85 2.89 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.808 -0.633 . . . . 10.0 110.289 -179.818 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 5.4 mp -71.37 125.36 26.79 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.978 0.418 . . . . 10.0 110.642 -179.76 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 27.6 m-85 -130.16 139.34 50.88 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.74 -0.664 . . . . 10.0 110.598 -179.699 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 64.4 m-20 -70.19 -33.76 72.11 Favored 'General case' 0 C--N 1.331 -0.239 0 N-CA-C 109.35 -0.611 . . . . 10.0 109.35 178.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -114.45 157.55 22.76 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 108.689 -0.856 . . . . 10.0 108.689 178.443 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.437 HG22 ' CZ2' ' A' ' 68' ' ' TRP . 47.6 mm -117.54 125.28 28.22 Favored Pre-proline 0 C--N 1.32 -0.703 0 C-N-CA 120.596 -0.442 . . . . 10.0 111.398 -179.237 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 19.6 Cg_exo -65.51 131.34 27.63 Favored 'Trans proline' 0 C--N 1.347 0.494 0 C-N-CA 122.588 2.192 . . . . 10.0 111.689 178.555 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -55.89 -31.74 63.1 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 112.669 0.618 . . . . 10.0 112.669 -179.038 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 96.3 p -84.31 0.58 48.56 Favored 'General case' 0 C--O 1.257 1.489 0 O-C-N 121.737 -0.602 . . . . 0.0 111.008 -177.216 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -90.74 -18.56 7.47 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.011 0 CA-C-N 119.545 1.066 . . . . 10.0 111.143 -179.005 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' TRP . . . . . 0.437 ' CZ2' HG22 ' A' ' 63' ' ' ILE . 86.3 m95 -65.42 -18.32 65.23 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.931 0.396 . . . . 10.0 111.576 -179.049 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 12.4 tptp -68.48 -22.1 64.57 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.348 -0.387 . . . . 10.0 110.743 179.7 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 91.2 m-85 -88.43 -5.26 58.37 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.346 -0.388 . . . . 10.0 110.727 179.836 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 1.6 mp -84.74 129.31 37.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-N 115.93 -0.577 . . . . 10.0 109.736 179.55 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 50.9 mtp180 . . . . . 0 C--O 1.248 1.019 0 CA-C-O 118.408 -0.806 . . . . 10.0 110.431 -179.597 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 CA--C 1.529 0.135 0 CA-C-O 120.794 0.33 . . . . 10.0 110.585 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . -62.78 -41.13 99.1 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.124 -0.489 . . . . 10.0 110.939 179.777 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 10.4 mp -71.61 -14.3 62.02 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.983 -0.553 . . . . 10.0 110.938 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 36.3 ttmt -79.73 -39.73 30.45 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.274 -0.421 . . . . 10.0 110.497 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 7' ' ' ILE . . . . . . . . . . . . . 31.6 pt -86.62 -21.48 7.38 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.185 0 CA-C-N 116.161 -0.472 . . . . 10.0 111.038 -179.52 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 1.2 tp -82.15 -6.77 59.44 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.168 -0.469 . . . . 10.0 110.674 -179.851 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 9' ' ' ASN . . . . . . . . . . . . . 55.3 t30 -73.82 -33.47 64.17 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.895 -0.593 . . . . 10.0 111.343 -179.468 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 10' ' ' ASN . . . . . . . . . . . . . 14.3 t-20 -99.83 140.77 33.56 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.223 0.535 . . . . 10.0 111.452 -179.321 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 74.5 mt -68.41 -33.82 62.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 115.601 -0.727 . . . . 10.0 112.387 -178.609 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 12' ' ' ARG . . . . . . . . . . . . . 97.6 mtt180 -65.68 -37.84 87.61 Favored 'General case' 0 N--CA 1.465 0.325 0 N-CA-C 111.756 0.28 . . . . 10.0 111.756 -178.671 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 13' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -76.28 -35.09 59.07 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 120.977 0.418 . . . . 10.0 110.534 179.456 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 24.2 tp -69.65 -41.45 75.55 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.697 -0.683 . . . . 10.0 111.187 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 30.1 mtt180 -53.41 -40.43 65.12 Favored 'General case' 0 N--CA 1.467 0.41 0 CA-C-N 116.311 -0.404 . . . . 10.0 111.753 -179.768 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 16' ' ' ALA . . . . . . . . . . . . . . . -62.54 -51.9 65.55 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 112.493 0.553 . . . . 10.0 112.493 -178.686 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 17' ' ' GLN . . . . . 0.594 ' O ' ' HG2' ' B' ' 20' ' ' GLU . 0.0 OUTLIER -71.58 -19.63 62.11 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 121.456 0.646 . . . . 10.0 111.22 -179.271 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -74.63 -10.08 59.19 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.316 -0.402 . . . . 10.0 111.327 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 15.5 mmm180 -83.92 -18.09 38.52 Favored 'General case' 0 C--N 1.328 -0.334 0 C-N-CA 121.231 -0.188 . . . . 10.0 111.188 -179.736 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 20' ' ' GLU . . . . . 0.594 ' HG2' ' O ' ' B' ' 17' ' ' GLN . 10.7 pt-20 -95.27 -14.2 24.2 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.176 0.512 . . . . 10.0 110.704 179.707 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 21' ' ' CYS . . . . . . . . . . . . . 76.8 m -95.15 132.48 40.04 Favored 'General case' 0 CA--C 1.511 -0.53 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.949 178.144 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -63.63 153.34 36.28 Favored 'General case' 0 C--N 1.314 -0.943 0 O-C-N 123.853 0.721 . . . . 10.0 110.934 179.477 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 47.0 tp -55.45 -41.97 73.61 Favored 'General case' 0 N--CA 1.461 0.121 0 N-CA-C 109.733 -0.469 . . . . 10.0 109.733 179.498 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -55.63 -50.03 71.27 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 115.53 -0.759 . . . . 10.0 110.542 178.609 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -62.86 -42.59 99.81 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.635 -0.711 . . . . 10.0 111.604 -179.633 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 69.1 mt -61.24 -44.27 97.53 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.314 -0.403 . . . . 10.0 111.111 -179.579 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 27' ' ' GLU . . . . . 0.405 ' OE2' ' HD3' ' C' ' 41' ' ' ARG . 51.1 mt-10 -69.6 -40.63 76.56 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.036 0.446 . . . . 10.0 109.938 179.189 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 28' ' ' GLU . . . . . 0.514 ' O ' ' HG3' ' B' ' 32' ' ' LYS . 0.6 OUTLIER -60.78 -44.87 96.23 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.732 -0.667 . . . . 10.0 111.227 -179.784 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' B' B ' 29' ' ' MET . . . . . . . . . . . . . 5.5 ppp? -75.8 -28.27 58.28 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.603 -0.271 . . . . 10.0 111.218 -179.34 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 35.6 tp -58.13 -47.39 83.45 Favored 'General case' 0 C--O 1.233 0.193 0 CA-C-O 120.946 0.403 . . . . 10.0 110.457 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 23.7 mt-10 -64.72 -34.91 79.43 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.753 -0.658 . . . . 10.0 110.808 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 32' ' ' LYS . . . . . 0.514 ' HG3' ' O ' ' B' ' 28' ' ' GLU . 43.1 mttm -64.74 -44.61 89.57 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.063 -0.517 . . . . 10.0 110.974 -179.615 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 52.4 tp -70.41 -37.06 74.39 Favored 'General case' 0 C--N 1.324 -0.502 0 C-N-CA 120.585 -0.446 . . . . 10.0 109.989 179.22 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 8.9 tt0 -60.94 -47.54 85.97 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.905 -0.589 . . . . 10.0 111.416 -179.649 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 35' ' ' VAL . . . . . . . . . . . . . 27.4 m -63.21 -32.16 55.35 Favored 'Isoleucine or valine' 0 C--O 1.233 0.199 0 C-N-CA 120.892 -0.323 . . . . 10.0 111.732 -179.253 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 59.4 t -69.66 -41.48 80.17 Favored 'Isoleucine or valine' 0 C--O 1.233 0.193 0 N-CA-C 109.213 -0.662 . . . . 10.0 109.213 178.599 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 69.9 t -65.82 -38.96 83.41 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.227 0 N-CA-C 108.742 -0.836 . . . . 10.0 108.742 178.145 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 22.0 t30 -62.15 -43.47 98.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.447 -0.797 . . . . 10.0 109.757 178.276 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 39' ' ' GLU . . . . . 0.59 ' O ' ' HG3' ' B' ' 43' ' ' GLU . 18.2 mt-10 -59.16 -51.05 71.67 Favored 'General case' 0 N--CA 1.453 -0.317 0 CA-C-N 115.605 -0.725 . . . . 10.0 109.625 178.364 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 13.5 mmm-85 -60.69 -38.73 85.95 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 115.863 -0.608 . . . . 10.0 110.899 179.326 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 41' ' ' ARG . . . . . . . . . . . . . 91.8 mtt180 -57.42 -47.04 82.8 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.22 -0.446 . . . . 10.0 110.076 179.048 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 5.6 tp10 -60.8 -45.41 94.52 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.882 -0.599 . . . . 10.0 110.954 -179.924 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 43' ' ' GLU . . . . . 0.59 ' HG3' ' O ' ' B' ' 39' ' ' GLU . 19.2 mt-10 -65.02 -36.01 83.0 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.411 -0.359 . . . . 10.0 110.664 -179.877 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -67.05 -38.79 86.47 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.13 -0.486 . . . . 10.0 111.076 -179.91 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 45' ' ' SER . . . . . . . . . . . . . 2.5 p -81.33 -24.38 37.17 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 111.712 0.264 . . . . 10.0 111.712 179.885 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.327 -0.376 0 CA-C-O 120.815 0.34 . . . . 10.0 111.353 -179.491 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' C' C ' 3' ' ' GLU . . . . . 0.513 ' CD ' ' H ' ' C' ' 3' ' ' GLU . 1.2 mp0 . . . . . 0 C--O 1.233 0.203 0 N-CA-C 112.112 0.412 . . . . 10.0 112.112 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 4' ' ' ALA . . . . . . . . . . . . . . . -57.53 -45.75 84.68 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.892 -0.595 . . . . 10.0 112.341 -178.932 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 5' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -80.97 -15.56 55.88 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 112.233 0.457 . . . . 10.0 112.233 -178.568 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 6' ' ' LYS . . . . . . . . . . . . . 84.1 tttt -70.48 -34.58 72.54 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 111.898 0.333 . . . . 10.0 111.898 -178.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 7' ' ' ILE . . . . . . . . . . . . . 49.6 pt -73.31 -6.87 8.84 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 C-N-CA 121.043 -0.263 . . . . 10.0 111.447 -179.174 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 8' ' ' LEU . . . . . . . . . . . . . 2.6 mp -88.67 -7.26 56.64 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.881 0.372 . . . . 10.0 110.531 179.785 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 9' ' ' ASN . . . . . . . . . . . . . 23.4 t-20 -79.17 -30.44 43.49 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.103 -0.499 . . . . 10.0 110.062 179.702 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 10' ' ' ASN . . . . . 0.417 HD22 ' HB2' ' C' ' 12' ' ' ARG . 29.2 t30 -90.25 117.66 29.16 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.568 -0.742 . . . . 10.0 109.341 179.156 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 11' ' ' ILE . . . . . . . . . . . . . 8.4 tp -62.97 -25.6 38.93 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 116.291 -0.413 . . . . 10.0 111.651 -178.877 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 12' ' ' ARG . . . . . 0.417 ' HB2' HD22 ' C' ' 10' ' ' ASN . 33.9 mmt180 -65.53 -45.69 82.47 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.584 0.23 . . . . 10.0 110.746 -179.671 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 13' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -75.35 -38.25 60.2 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.843 0.354 . . . . 10.0 110.484 179.759 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 14' ' ' LEU . . . . . . . . . . . . . 34.1 tp -62.2 -47.69 83.32 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.823 -0.626 . . . . 10.0 110.735 179.863 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 15' ' ' ARG . . . . . . . . . . . . . 30.1 ttm105 -63.61 -30.22 71.36 Favored 'General case' 0 C--O 1.235 0.29 0 CA-C-N 116.139 -0.482 . . . . 10.0 111.026 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 16' ' ' ALA . . . . . . . . . . . . . . . -80.98 -40.68 23.99 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.349 -0.387 . . . . 10.0 111.043 -179.786 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 17' ' ' GLN . . . . . 0.432 ' O ' ' HB2' ' C' ' 20' ' ' GLU . 4.0 tp60 -67.24 -30.59 70.54 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.003 -0.544 . . . . 10.0 110.517 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 18' ' ' ALA . . . . . . . . . . . . . . . -66.85 -18.23 65.27 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.396 -0.365 . . . . 10.0 111.742 -179.776 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 19' ' ' ARG . . . . . . . . . . . . . 89.2 mtt-85 -78.6 -5.6 53.29 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 120.836 0.351 . . . . 10.0 110.797 -179.807 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 20' ' ' GLU . . . . . 0.432 ' HB2' ' O ' ' C' ' 17' ' ' GLN . 0.4 OUTLIER -76.5 -22.67 54.15 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.068 -0.514 . . . . 10.0 111.485 -179.622 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' C' C ' 21' ' ' CYS . . . . . . . . . . . . . 73.2 m -131.24 166.66 20.68 Favored 'General case' 0 CA--C 1.511 -0.554 0 CA-C-O 122.276 1.036 . . . . 0.0 111.006 -179.472 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 22' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -78.12 160.75 27.86 Favored 'General case' 0 C--O 1.239 0.533 0 CA-C-N 114.58 -1.191 . . . . 10.0 111.048 179.111 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 53.2 tp -56.32 -37.25 69.67 Favored 'General case' 0 C--O 1.225 -0.226 0 O-C-N 123.26 0.35 . . . . 10.0 111.471 -179.369 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 24' ' ' GLU . . . . . . . . . . . . . 7.3 tt0 -52.84 -51.73 59.83 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.978 0.418 . . . . 10.0 110.457 179.538 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 25' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -66.6 -41.38 88.54 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.862 -0.608 . . . . 10.0 111.201 179.409 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 26' ' ' LEU . . . . . . . . . . . . . 87.0 mt -61.58 -45.74 92.84 Favored 'General case' 0 N--CA 1.465 0.289 0 CA-C-O 120.949 0.404 . . . . 10.0 111.132 -179.665 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 27' ' ' GLU . . . . . 0.444 ' O ' ' HG3' ' C' ' 31' ' ' GLU . 21.3 tt0 -68.87 -41.31 78.58 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 116.377 -0.374 . . . . 10.0 110.369 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 28' ' ' GLU . . . . . 0.525 ' O ' ' HG2' ' C' ' 32' ' ' LYS . 33.3 tt0 -58.37 -47.18 84.65 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.061 -0.518 . . . . 10.0 110.891 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 29' ' ' MET . . . . . . . . . . . . . 21.9 ptp -70.91 -27.36 63.73 Favored 'General case' 0 C--N 1.332 -0.187 0 C-N-CA 120.993 -0.283 . . . . 10.0 110.963 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 30' ' ' LEU . . . . . . . . . . . . . 23.5 tp -66.0 -40.37 91.08 Favored 'General case' 0 C--N 1.332 -0.169 0 N-CA-C 109.696 -0.483 . . . . 10.0 109.696 179.015 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 31' ' ' GLU . . . . . 0.444 ' HG3' ' O ' ' C' ' 27' ' ' GLU . 46.4 mt-10 -63.45 -27.18 69.11 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.631 -0.713 . . . . 10.0 110.675 179.52 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 32' ' ' LYS . . . . . 0.525 ' HG2' ' O ' ' C' ' 28' ' ' GLU . 23.3 mmtp -77.16 -32.86 56.54 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.933 -0.576 . . . . 10.0 110.094 179.725 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 33' ' ' LEU . . . . . . . . . . . . . 18.4 tp -76.62 -43.88 36.51 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.865 -0.607 . . . . 10.0 112.176 -178.718 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 34' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -59.93 -40.56 89.34 Favored 'General case' 0 C--N 1.33 -0.271 0 N-CA-C 112.276 0.473 . . . . 10.0 112.276 -178.171 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 35' ' ' VAL . . . . . . . . . . . . . 19.2 m -70.14 -27.99 34.34 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.2 0 C-N-CA 120.639 -0.424 . . . . 10.0 111.063 -179.872 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 36' ' ' VAL . . . . . . . . . . . . . 19.5 t -67.62 -41.2 85.38 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 N-CA-C 109.187 -0.671 . . . . 10.0 109.187 178.662 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 37' ' ' VAL . . . . . . . . . . . . . 79.1 t -64.05 -35.59 74.11 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.36 0 CA-C-N 115.739 -0.664 . . . . 10.0 109.471 178.486 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 38' ' ' ASN . . . . . . . . . . . . . 1.6 t30 -59.66 -48.64 80.88 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 115.967 -0.561 . . . . 10.0 110.235 179.826 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 39' ' ' GLU . . . . . . . . . . . . . 17.0 mt-10 -58.89 -44.84 91.26 Favored 'General case' 0 C--O 1.233 0.218 0 CA-C-N 116.019 -0.537 . . . . 10.0 110.366 179.496 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 40' ' ' ARG . . . . . 0.423 ' HA ' HH11 ' C' ' 40' ' ' ARG . 7.5 mmm180 -60.86 -38.28 85.04 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.655 -0.702 . . . . 10.0 110.3 179.825 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 41' ' ' ARG . . . . . 0.405 ' HD3' ' OE2' ' B' ' 27' ' ' GLU . 11.3 mmm180 -64.65 -44.31 90.87 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.854 -0.612 . . . . 10.0 110.041 179.128 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 42' ' ' GLU . . . . . . . . . . . . . 54.6 mt-10 -57.75 -42.94 85.01 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.664 -0.698 . . . . 10.0 111.055 -179.794 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 43' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -61.76 -53.03 61.57 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.302 0.573 . . . . 10.0 111.738 -179.845 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 44' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.323 -0.573 0 CA-C-N 115.752 -0.658 . . . . 10.0 112.394 -178.225 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 12.0 tp . . . . . 0 N--CA 1.475 0.823 0 N-CA-C 109.716 -0.475 . . . . 10.0 109.716 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -103.61 171.84 7.14 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.095 0.474 . . . . 10.0 111.589 -179.073 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 43.6 mttt -67.71 -37.2 81.92 Favored 'General case' 0 C--O 1.224 -0.249 0 CA-C-N 115.665 -0.698 . . . . 10.0 110.304 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -59.69 -35.07 73.75 Favored 'General case' 0 C--O 1.236 0.384 0 CA-C-N 115.855 -0.611 . . . . 10.0 112.319 -178.958 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 28.0 m-20 -65.56 -32.4 73.96 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.02 -0.536 . . . . 10.0 110.279 -179.773 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 55.4 m-85 -88.76 -31.4 18.42 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.123 -0.489 . . . . 10.0 109.907 179.15 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 67.3 tp -58.63 -49.54 77.14 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.712 -0.676 . . . . 10.0 110.909 -179.918 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 78.0 mmm -62.19 -23.55 66.68 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.951 0.405 . . . . 10.0 111.102 -179.357 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.71 -38.97 32.26 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.125 -0.489 . . . . 10.0 109.961 179.389 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 74.9 mt -82.14 -18.56 42.45 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.77 -0.65 . . . . 10.0 111.187 -179.538 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . 0.458 ' HA ' ' CZ ' ' A' ' 50' ' ' ARG . 27.0 mtt180 -69.69 -11.7 61.05 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.328 -0.397 . . . . 10.0 110.984 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 80.8 mtm-85 -87.87 -6.16 58.23 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.274 -0.421 . . . . 10.0 110.186 178.84 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 39.5 m -98.54 132.71 43.74 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.998 -0.546 . . . . 10.0 109.928 179.152 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -127.92 -175.37 3.46 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.457 -0.338 . . . . 10.0 110.909 -179.331 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 1.2 m 70.68 -2.3 2.3 Favored 'General case' 0 CA--C 1.534 0.349 0 C-N-CA 123.353 0.661 . . . . 10.0 112.552 178.499 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 84.1 mt 72.23 -55.59 0.28 Allowed 'Isoleucine or valine' 0 N--CA 1.472 0.668 0 C-N-CA 122.962 0.505 . . . . 10.0 111.468 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 32.2 t70 -56.41 -41.91 77.11 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.211 -0.449 . . . . 10.0 111.203 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 8.1 m -60.99 -34.9 75.52 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.182 0.515 . . . . 10.0 110.218 179.058 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.492 ' O ' HG11 ' A' ' 27' ' ' VAL . 20.4 tp -70.76 -36.31 73.05 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.612 -0.722 . . . . 10.0 109.897 179.369 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 2.1 tp10 -66.89 -31.09 71.46 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.148 0.499 . . . . 10.0 110.242 179.865 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 58.3 mtt180 -73.91 -41.46 62.07 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.795 -0.639 . . . . 10.0 111.318 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . 0.492 HG11 ' O ' ' A' ' 24' ' ' LEU . 13.0 p -68.84 -42.39 82.63 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.333 0 CA-C-N 116.644 -0.253 . . . . 10.0 111.632 -178.921 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 46.2 pt -68.08 -30.95 49.79 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 O-C-N 122.161 -0.337 . . . . 10.0 111.18 -179.487 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 9.6 tp10 -67.81 -54.19 21.09 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.276 -0.42 . . . . 10.0 110.264 179.645 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 29.1 tttp -64.96 -32.34 74.02 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.099 -0.501 . . . . 10.0 111.029 -179.795 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . 0.445 ' HB2' ' O ' ' A' ' 27' ' ' VAL . 0.7 OUTLIER -66.86 -34.56 78.07 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.974 -0.557 . . . . 10.0 111.623 -179.532 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 3.6 mtmp? -61.21 -32.88 72.65 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 112.061 0.393 . . . . 10.0 112.061 -178.855 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 10.0 m-85 -82.02 -3.84 55.42 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.801 0.334 . . . . 10.0 111.046 -179.217 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 4.9 tt0 -112.32 -14.99 13.25 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 121.012 0.434 . . . . 10.0 110.963 -179.324 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 61.9 mt -79.01 163.69 24.99 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.216 -0.447 . . . . 10.0 110.572 -179.777 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' SER . . . . . 0.49 ' O ' ' HB2' ' A' ' 37' ' ' ASP . 0.7 OUTLIER -95.94 -1.68 48.66 Favored 'General case' 0 C--N 1.321 -0.645 0 N-CA-C 109.537 -0.542 . . . . 10.0 109.537 179.789 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . 0.49 ' HB2' ' O ' ' A' ' 36' ' ' SER . 97.1 m-20 80.57 -10.37 1.26 Allowed 'General case' 0 C--O 1.248 1.016 0 C-N-CA 125.044 1.338 . . . . 0.0 111.012 178.943 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . 0.427 ' OD1' ' HB2' ' A' ' 36' ' ' SER . 2.3 p-10 -85.88 -29.31 23.78 Favored 'General case' 0 C--N 1.332 -0.18 0 O-C-N 120.917 -1.114 . . . . 10.0 109.777 178.377 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -89.5 -5.53 57.21 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.671 -0.695 . . . . 10.0 109.639 179.634 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 21.2 tp -64.1 -23.03 67.17 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.406 -0.815 . . . . 10.0 110.924 -179.649 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -64.13 -49.61 71.46 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.234 -0.439 . . . . 10.0 111.138 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 2.8 m -80.19 -22.93 11.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.406 -0.361 . . . . 10.0 111.128 -179.806 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 53.8 t80 -72.5 -37.0 68.53 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.028 -0.533 . . . . 10.0 110.203 179.66 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -58.77 -51.73 68.75 Favored 'General case' 0 CA--C 1.52 -0.183 0 CA-C-N 116.298 -0.41 . . . . 10.0 110.867 179.813 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 13.0 m -59.87 -35.99 75.96 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.414 -0.357 . . . . 10.0 111.102 179.687 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -65.26 -46.73 79.32 Favored 'General case' 0 C--O 1.234 0.283 0 CA-C-N 116.308 -0.405 . . . . 10.0 110.266 179.321 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -66.39 -43.01 87.05 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.186 -0.461 . . . . 10.0 110.097 179.215 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -58.8 -46.71 86.96 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.769 -0.65 . . . . 10.0 110.121 179.469 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 5.9 t60 -63.34 -46.05 88.41 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.713 -0.676 . . . . 10.0 110.352 179.451 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . 0.458 ' CZ ' ' HA ' ' A' ' 16' ' ' ARG . 31.0 tpt180 -64.72 -39.85 94.35 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.969 -0.559 . . . . 10.0 111.462 -179.209 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 36.7 tp -61.83 -42.22 98.76 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.62 0.248 . . . . 10.0 110.626 -179.751 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . 0.417 ' HA ' HD13 ' A' ' 71' ' ' ILE . . . -60.03 -49.33 78.09 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.236 -0.438 . . . . 10.0 111.914 -179.745 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -74.44 -29.73 61.6 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.486 -0.324 . . . . 10.0 111.662 -178.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 15.8 tp -73.51 -40.81 63.77 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 120.504 0.192 . . . . 10.0 111.398 -179.335 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 23.6 m -64.31 -34.45 78.16 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.974 0.416 . . . . 10.0 110.592 179.735 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 88.2 mmm -84.98 -12.9 52.24 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.918 -0.583 . . . . 10.0 110.351 179.165 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 49.7 t30 62.21 38.03 13.8 Favored 'General case' 0 C--O 1.233 0.199 0 CA-C-N 115.491 -0.777 . . . . 10.0 110.88 -179.521 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 22.6 tptp -150.88 121.1 7.25 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.758 -0.655 . . . . 10.0 109.744 -179.911 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 6.3 mp -66.14 127.13 30.92 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 120.944 0.402 . . . . 10.0 110.953 -179.824 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 38.0 m-85 -127.43 128.2 45.38 Favored 'General case' 0 C--O 1.238 0.462 0 CA-C-N 116.007 -0.542 . . . . 10.0 111.438 -179.576 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -65.97 -46.0 79.66 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 108.336 -0.987 . . . . 10.0 108.336 177.489 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 34.3 pttt -114.93 151.45 34.03 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 114.797 -1.092 . . . . 10.0 108.485 178.153 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 27.8 mm -110.68 127.18 27.38 Favored Pre-proline 0 C--N 1.321 -0.641 0 N-CA-C 112.187 0.44 . . . . 10.0 112.187 -178.134 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . 0.484 ' O ' HG12 ' A' ' 67' ' ' VAL . 49.5 Cg_endo -74.23 137.03 22.99 Favored 'Trans proline' 0 C--N 1.345 0.367 0 C-N-CA 122.41 2.073 . . . . 10.0 111.518 178.047 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' SER . . . . . 0.454 ' HA ' ' CD1' ' A' ' 68' ' ' TRP . 0.9 OUTLIER -61.1 -24.54 66.31 Favored 'General case' 0 C--N 1.321 -0.652 0 N-CA-C 113.335 0.865 . . . . 10.0 113.335 -178.41 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 95.7 p -76.71 -5.41 47.93 Favored 'General case' 0 C--O 1.258 1.512 0 O-C-N 121.375 -0.828 . . . . 0.0 111.003 -177.864 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . 0.484 HG12 ' O ' ' A' ' 64' ' ' PRO . 1.9 p -97.85 -17.88 6.57 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.348 0 CA-C-N 119.876 1.216 . . . . 10.0 112.32 -177.651 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' TRP . . . . . 0.454 ' CD1' ' HA ' ' A' ' 65' ' ' SER . 76.0 m95 -64.15 -24.12 67.57 Favored 'General case' 0 N--CA 1.463 0.213 0 CA-C-O 120.86 0.362 . . . . 10.0 111.586 -179.101 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 21.5 tptp -65.98 -25.88 67.3 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.21 -0.45 . . . . 10.0 111.862 -178.918 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 89.3 m-85 -93.61 0.98 56.79 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.756 0.312 . . . . 10.0 111.637 -178.914 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . 0.417 HD13 ' HA ' ' A' ' 52' ' ' ALA . 1.4 mp -87.88 138.1 19.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-O 121.0 0.428 . . . . 10.0 110.781 -179.47 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 31.9 mtp-105 . . . . . 0 C--O 1.249 1.041 0 CA-C-O 118.127 -0.94 . . . . 10.0 109.906 179.68 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.451 -0.395 0 N-CA-C 109.565 -0.532 . . . . 10.0 109.565 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . -67.03 -45.16 78.33 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.603 -0.726 . . . . 10.0 110.861 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 5' ' ' LEU . . . . . 0.7 ' CD2' ' SG ' ' C' ' 21' ' ' CYS . 7.0 mp -78.33 0.9 23.68 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.296 -0.411 . . . . 10.0 111.289 -179.787 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 35.3 ttpt -92.88 -48.48 6.52 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.072 -0.513 . . . . 10.0 109.812 179.062 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 7' ' ' ILE . . . . . . . . . . . . . 1.1 pt -73.9 -18.93 17.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-N 115.831 -0.622 . . . . 10.0 111.094 -179.858 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 1.4 mp -74.39 -19.0 60.59 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.917 -0.583 . . . . 10.0 111.863 -179.522 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 9' ' ' ASN . . . . . . . . . . . . . 13.1 t-20 -86.26 -17.65 34.13 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.857 0.36 . . . . 10.0 110.945 -179.371 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 10' ' ' ASN . . . . . 0.5 ' OD1' ' HB2' ' B' ' 12' ' ' ARG . 12.8 t-20 -99.28 123.21 43.38 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-O 120.917 0.389 . . . . 10.0 110.472 -179.717 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 81.7 mt -58.0 -37.23 60.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 CA-C-N 115.734 -0.666 . . . . 10.0 112.085 -179.295 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 12' ' ' ARG . . . . . 0.5 ' HB2' ' OD1' ' B' ' 10' ' ' ASN . 99.7 mtt180 -61.17 -53.45 56.77 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 111.862 0.319 . . . . 10.0 111.862 -178.952 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 13' ' ' THR . . . . . 0.449 ' OG1' ' HB3' ' B' ' 10' ' ' ASN . 0.6 OUTLIER -67.58 -35.41 78.96 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 120.783 0.325 . . . . 10.0 111.2 -179.72 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 12.8 tp -66.53 -38.39 87.08 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.283 -0.417 . . . . 10.0 110.83 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 19.9 mtt85 -59.73 -46.24 89.73 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.368 -0.378 . . . . 10.0 110.542 179.525 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 16' ' ' ALA . . . . . . . . . . . . . . . -70.14 -34.45 73.06 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.085 -0.507 . . . . 10.0 110.76 -179.728 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 17' ' ' GLN . . . . . . . . . . . . . 24.5 tp60 -67.61 -40.83 84.7 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.777 -0.647 . . . . 10.0 110.819 179.808 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -75.43 6.69 4.29 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 112.219 0.451 . . . . 10.0 112.219 -179.316 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 30.5 mmt180 -94.44 -8.44 38.56 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 122.322 -0.236 . . . . 10.0 110.918 179.609 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 2.9 pt-20 -88.17 -18.33 28.96 Favored 'General case' 0 N--CA 1.463 0.206 0 CA-C-O 120.913 0.387 . . . . 10.0 110.768 -179.774 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 21' ' ' CYS . . . . . 1.012 ' SG ' HD21 ' B' ' 26' ' ' LEU . 32.0 p -120.86 159.56 25.26 Favored 'General case' 0 CA--C 1.51 -0.574 0 CA-C-O 121.33 0.586 . . . . 0.0 111.013 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -85.55 170.77 12.28 Favored 'General case' 0 N--CA 1.452 -0.35 0 CA-C-N 115.558 -0.746 . . . . 10.0 110.697 179.153 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 52.3 tp -63.67 -31.79 73.07 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.657 -0.247 . . . . 10.0 111.116 -179.275 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 4.2 tp10 -52.27 -49.51 63.97 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.034 0.445 . . . . 10.0 110.832 179.631 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -73.19 -39.34 65.67 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.884 -0.598 . . . . 10.0 111.314 -179.947 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 26' ' ' LEU . . . . . 1.012 HD21 ' SG ' ' B' ' 21' ' ' CYS . 89.9 mt -65.14 -47.54 76.72 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.2 -0.455 . . . . 10.0 111.928 -179.295 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 27' ' ' GLU . . . . . 0.554 ' OE1' ' HD3' ' C' ' 41' ' ' ARG . 1.8 tp10 -63.15 -36.37 83.38 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.044 0.45 . . . . 10.0 110.929 -179.8 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 13.4 tt0 -70.64 -45.61 64.84 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.365 -0.38 . . . . 10.0 111.046 -179.846 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 29' ' ' MET . . . . . 0.524 ' HG3' ' O ' ' B' ' 26' ' ' LEU . 5.3 ppp? -66.91 -26.42 66.86 Favored 'General case' 0 CA--C 1.52 -0.183 0 N-CA-C 110.272 -0.269 . . . . 10.0 110.272 179.916 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 19.7 tp -59.2 -49.06 79.28 Favored 'General case' 0 N--CA 1.455 -0.189 0 N-CA-C 109.32 -0.622 . . . . 10.0 109.32 178.825 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 59.3 mt-10 -62.82 -45.73 91.24 Favored 'General case' 0 CA--C 1.52 -0.207 0 CA-C-N 115.631 -0.713 . . . . 10.0 110.297 179.2 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 32' ' ' LYS . . . . . 0.508 ' O ' HG22 ' B' ' 36' ' ' VAL . 81.2 mttt -59.27 -41.31 88.54 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.553 -0.749 . . . . 10.0 111.887 -179.077 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 25.9 tp -78.36 -35.11 47.86 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 120.877 0.37 . . . . 10.0 110.75 179.722 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 16.0 tt0 -63.65 -44.18 94.57 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.106 -0.497 . . . . 10.0 110.915 -179.736 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 35' ' ' VAL . . . . . 0.408 ' O ' ' HG3' ' B' ' 39' ' ' GLU . 30.0 m -64.69 -29.9 48.7 Favored 'Isoleucine or valine' 0 C--N 1.334 -0.098 0 C-N-CA 120.721 -0.392 . . . . 10.0 110.526 179.892 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 36' ' ' VAL . . . . . 0.508 HG22 ' O ' ' B' ' 32' ' ' LYS . 46.4 t -65.79 -45.78 90.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 N-CA-C 109.343 -0.614 . . . . 10.0 109.343 178.547 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 48.1 t -63.47 -35.89 74.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 115.765 -0.652 . . . . 10.0 109.338 178.88 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 5.4 t-20 -63.95 -44.85 91.59 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.496 -0.774 . . . . 10.0 109.896 179.017 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 39' ' ' GLU . . . . . 0.452 ' O ' ' HG3' ' B' ' 43' ' ' GLU . 95.6 mt-10 -61.84 -47.3 85.69 Favored 'General case' 0 C--O 1.234 0.241 0 CA-C-N 116.016 -0.538 . . . . 10.0 109.644 178.741 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -59.65 -41.04 89.66 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 115.544 -0.753 . . . . 10.0 110.588 179.626 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 41' ' ' ARG . . . . . . . . . . . . . 38.9 mtt180 -64.82 -36.72 85.24 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.204 -0.453 . . . . 10.0 110.26 179.241 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 34.4 tt0 -64.43 -44.67 90.46 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.171 -0.468 . . . . 10.0 109.831 179.117 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 43' ' ' GLU . . . . . 0.452 ' HG3' ' O ' ' B' ' 39' ' ' GLU . 42.6 mt-10 -55.5 -51.45 66.97 Favored 'General case' 0 N--CA 1.463 0.186 0 CA-C-N 115.855 -0.611 . . . . 10.0 110.632 179.419 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -66.85 -34.7 78.38 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.466 -0.788 . . . . 10.0 111.955 -178.924 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 45' ' ' SER . . . . . . . . . . . . . 44.9 m -72.9 -25.18 60.97 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.881 0.372 . . . . 10.0 111.262 -179.719 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.43 0 CA-C-N 116.315 -0.402 . . . . 10.0 111.54 -179.461 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' C' C ' 3' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 . . . . . 0 N--CA 1.452 -0.352 0 CA-C-O 121.049 0.452 . . . . 10.0 110.585 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' C' C ' 4' ' ' ALA . . . . . . . . . . . . . . . -96.12 -29.07 14.29 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.977 -0.556 . . . . 10.0 111.28 -179.369 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 5' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -78.29 -1.81 34.89 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.023 -0.535 . . . . 10.0 112.181 -178.864 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 6' ' ' LYS . . . . . . . . . . . . . 27.0 tptt -75.42 -39.22 59.18 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.636 0.255 . . . . 10.0 111.619 -179.217 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 7' ' ' ILE . . . . . . . . . . . . . 1.4 pp -72.49 -20.14 19.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 N-CA-C 112.392 0.516 . . . . 10.0 112.392 -178.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 8' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -79.74 -6.56 57.48 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 121.265 0.555 . . . . 10.0 110.642 179.901 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 9' ' ' ASN . . . . . . . . . . . . . 28.5 t-20 -84.42 -27.65 27.43 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.947 -0.57 . . . . 10.0 110.509 179.857 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 10' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -99.12 121.61 41.24 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.826 -0.625 . . . . 10.0 110.347 -179.215 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 11' ' ' ILE . . . . . . . . . . . . . 10.3 tp -62.83 -26.01 39.77 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.4 0 CA-C-N 116.462 -0.336 . . . . 10.0 111.647 -179.431 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 12' ' ' ARG . . . . . . . . . . . . . 9.3 mmt180 -62.1 -56.06 22.65 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 121.048 0.451 . . . . 10.0 110.921 -179.612 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 13' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -69.55 -39.64 77.31 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.968 -0.56 . . . . 10.0 110.799 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 14' ' ' LEU . . . . . . . . . . . . . 13.2 tp -54.73 -53.55 53.49 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.463 -0.79 . . . . 10.0 112.075 -179.106 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 15' ' ' ARG . . . . . . . . . . . . . 34.8 ttm180 -65.43 -36.01 82.65 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.632 0.254 . . . . 10.0 111.266 -179.611 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 16' ' ' ALA . . . . . . . . . . . . . . . -66.55 -39.2 88.43 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.304 -0.407 . . . . 10.0 111.846 -179.396 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 17' ' ' GLN . . . . . . . . . . . . . 45.3 mt-30 -83.26 -31.19 27.08 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.556 -0.293 . . . . 10.0 111.346 -179.613 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 18' ' ' ALA . . . . . . . . . . . . . . . -69.65 -24.68 63.65 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.683 0.277 . . . . 10.0 111.364 -179.776 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 19' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -72.19 -12.21 61.08 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.784 0.326 . . . . 10.0 111.27 -179.777 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 20' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -82.22 -30.41 30.82 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 120.964 0.412 . . . . 10.0 110.47 -179.736 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 21' ' ' CYS . . . . . 0.7 ' SG ' ' CD2' ' B' ' 5' ' ' LEU . 74.6 m -94.61 151.34 19.4 Favored 'General case' 0 CA--C 1.511 -0.54 0 CA-C-N 115.815 -0.629 . . . . 0.0 110.914 179.931 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 22' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -72.53 154.54 40.77 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.62 -0.718 . . . . 10.0 110.945 178.339 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 37.9 tp -58.39 -31.73 67.94 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.343 -0.389 . . . . 10.0 111.054 179.707 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 24' ' ' GLU . . . . . . . . . . . . . 14.2 tt0 -58.8 -49.93 75.86 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.175 -0.466 . . . . 10.0 110.954 179.694 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 25' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -64.49 -35.25 80.34 Favored 'General case' 0 N--CA 1.45 -0.454 0 CA-C-N 116.35 -0.386 . . . . 10.0 110.865 179.872 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 26' ' ' LEU . . . . . . . . . . . . . 95.6 mt -64.68 -48.33 75.12 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.993 -0.549 . . . . 10.0 110.422 179.547 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 27' ' ' GLU . . . . . . . . . . . . . 59.0 mt-10 -66.66 -37.12 84.14 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.265 -0.425 . . . . 10.0 110.916 179.92 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 28' ' ' GLU . . . . . . . . . . . . . 15.0 tt0 -61.51 -47.24 86.52 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.055 -0.521 . . . . 10.0 110.864 -179.922 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 29' ' ' MET . . . . . . . . . . . . . 21.0 ptp -76.78 -25.12 53.01 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.442 -0.345 . . . . 10.0 111.227 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 30' ' ' LEU . . . . . . . . . . . . . 26.3 tp -62.87 -38.26 90.17 Favored 'General case' 0 C--O 1.232 0.153 0 CA-C-O 120.803 0.335 . . . . 10.0 110.196 179.721 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 31' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -62.86 -34.65 77.81 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.794 -0.639 . . . . 10.0 110.431 179.586 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 32' ' ' LYS . . . . . . . . . . . . . 22.2 mmtp -75.65 -37.11 59.93 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.888 -0.596 . . . . 10.0 109.564 179.48 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 33' ' ' LEU . . . . . . . . . . . . . 15.8 tp -65.82 -49.44 68.22 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.495 -0.775 . . . . 10.0 111.56 -179.578 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 34' ' ' GLU . . . . . . . . . . . . . 14.8 pt-20 -58.87 -42.44 89.41 Favored 'General case' 0 C--N 1.33 -0.245 0 N-CA-C 111.84 0.311 . . . . 10.0 111.84 -178.726 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 35' ' ' VAL . . . . . . . . . . . . . 33.8 m -72.28 -36.57 56.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 C-N-CA 120.411 -0.516 . . . . 10.0 111.223 -179.679 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 36' ' ' VAL . . . . . . . . . . . . . 11.8 t -67.15 -45.89 85.53 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.336 0 CA-C-O 120.998 0.428 . . . . 10.0 110.334 179.675 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 37' ' ' VAL . . . . . . . . . . . . . 60.7 t -62.72 -36.25 74.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.166 -0.47 . . . . 10.0 109.77 178.646 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 38' ' ' ASN . . . . . 0.663 ' O ' ' HG3' ' C' ' 42' ' ' GLU . 10.9 t30 -63.64 -36.42 83.77 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.912 -0.586 . . . . 10.0 110.393 179.307 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 39' ' ' GLU . . . . . 0.477 ' O ' ' HG3' ' C' ' 43' ' ' GLU . 3.6 mt-10 -61.12 -40.26 93.12 Favored 'General case' 0 N--CA 1.461 0.119 0 CA-C-O 120.916 0.389 . . . . 10.0 110.092 179.412 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 40' ' ' ARG . . . . . 0.527 ' HD2' ' OE1' ' C' ' 43' ' ' GLU . 10.4 mmm180 -71.19 -31.89 68.18 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 115.951 -0.568 . . . . 10.0 109.606 178.725 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 41' ' ' ARG . . . . . 0.554 ' HD3' ' OE1' ' B' ' 27' ' ' GLU . 6.2 mmm-85 -63.28 -45.46 91.34 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.519 -0.764 . . . . 10.0 110.235 178.718 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 42' ' ' GLU . . . . . 0.663 ' HG3' ' O ' ' C' ' 38' ' ' ASN . 30.4 mt-10 -56.55 -37.99 71.27 Favored 'General case' 0 C--N 1.333 -0.14 0 CA-C-N 115.908 -0.587 . . . . 10.0 110.33 179.879 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 43' ' ' GLU . . . . . 0.527 ' OE1' ' HD2' ' C' ' 40' ' ' ARG . 55.1 mt-10 -63.35 -38.78 92.49 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.726 -0.67 . . . . 10.0 111.403 -179.761 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 44' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.327 -0.404 0 CA-C-N 116.468 -0.333 . . . . 10.0 111.386 -179.673 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.476 ' HB2' ' CZ ' ' A' ' 11' ' ' TYR . 67.2 mt . . . . . 0 N--CA 1.48 1.056 0 N-CA-C 110.038 -0.356 . . . . 10.0 110.038 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -86.92 158.89 19.2 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.386 -0.37 . . . . 10.0 110.068 179.746 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . 0.436 ' HZ3' ' CD ' ' C' ' 28' ' ' GLU . 51.6 tttt -56.51 -34.29 66.84 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.184 -0.462 . . . . 10.0 110.936 179.575 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -73.58 -27.93 61.57 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.829 -0.623 . . . . 10.0 111.419 179.885 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 11.9 m-20 -62.76 -50.81 69.59 Favored 'General case' 0 CA--C 1.52 -0.208 0 CA-C-O 121.067 0.461 . . . . 10.0 110.309 -179.746 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . 0.476 ' CZ ' ' HB2' ' A' ' 6' ' ' LEU . 44.1 m-85 -65.2 -38.42 90.39 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.716 -0.674 . . . . 10.0 109.953 179.922 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 37.5 tp -61.02 -45.4 94.98 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.917 -0.583 . . . . 10.0 110.631 179.559 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 59.8 mmm -64.77 -27.1 68.67 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.485 -0.325 . . . . 10.0 111.292 -179.923 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -78.7 -45.65 20.82 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.202 0.525 . . . . 10.0 109.65 179.207 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 88.0 mt -74.03 -21.76 59.83 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.79 -0.641 . . . . 10.0 111.79 -179.138 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . 0.52 ' HA ' ' NE ' ' A' ' 50' ' ' ARG . 33.8 mtt180 -72.54 -9.79 59.0 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.832 0.349 . . . . 10.0 111.012 179.676 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 20.9 mtm-85 -88.62 -10.85 47.22 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 109.209 -0.663 . . . . 10.0 109.209 178.294 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 57.4 m -93.63 136.75 33.6 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.439 -0.8 . . . . 10.0 109.067 178.931 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 4.1 mm-40 -130.62 -175.42 3.65 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.574 -0.285 . . . . 10.0 111.581 -178.824 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 1.1 m 70.01 -4.1 1.59 Allowed 'General case' 0 CA--C 1.538 0.483 0 CA-C-N 115.608 -0.724 . . . . 10.0 112.722 178.61 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 73.5 mt 72.07 -53.32 0.26 Allowed 'Isoleucine or valine' 0 N--CA 1.471 0.604 0 C-N-CA 123.04 0.536 . . . . 10.0 111.36 -179.854 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 6.1 t70 -53.83 -45.08 70.76 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.723 -0.671 . . . . 10.0 111.852 -179.848 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 1.6 m -65.29 -33.26 75.56 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.875 0.369 . . . . 10.0 110.942 179.853 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 25.3 tp -67.7 -51.04 54.17 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.125 -0.489 . . . . 10.0 110.894 179.775 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 33.5 mt-10 -64.33 -14.93 59.06 Favored 'General case' 0 N--CA 1.464 0.269 0 CA-C-N 116.211 -0.449 . . . . 10.0 111.5 -179.458 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 8.1 ttm105 -87.19 -44.49 11.44 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.372 -0.377 . . . . 10.0 111.088 179.8 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 10.7 p -73.91 -34.03 38.49 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.435 0 N-CA-C 112.035 0.383 . . . . 10.0 112.035 -178.805 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 48.9 pt -67.76 -36.98 77.73 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.213 0 C-N-CA 120.744 -0.382 . . . . 10.0 111.54 -179.372 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 46.3 tp10 -67.15 -38.58 85.76 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 121.028 0.442 . . . . 10.0 109.987 179.796 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 96.1 mttt -68.77 -43.22 76.22 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.978 -0.556 . . . . 10.0 110.398 179.519 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -67.13 -25.84 66.39 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.171 -0.468 . . . . 10.0 110.468 179.789 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 32.8 ttmt -61.72 -35.55 78.39 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.072 0.463 . . . . 10.0 110.17 179.197 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 15.8 m-85 -83.27 2.11 37.63 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.992 -0.549 . . . . 10.0 111.311 -179.767 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 57.0 mt-10 -128.8 22.03 5.87 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.867 0.365 . . . . 10.0 111.498 -178.911 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 21.3 mt -109.39 159.32 17.11 Favored 'General case' 0 C--N 1.325 -0.461 0 C-N-CA 121.08 -0.248 . . . . 10.0 110.361 179.704 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' SER . . . . . 0.458 ' O ' ' HB2' ' A' ' 37' ' ' ASP . 0.8 OUTLIER -88.69 9.33 24.66 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 120.844 0.354 . . . . 10.0 111.068 -179.262 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . 0.458 ' HB2' ' O ' ' A' ' 36' ' ' SER . 98.6 m-20 76.96 -34.84 0.22 Allowed 'General case' 0 C--O 1.253 1.275 0 C-N-CA 124.353 1.061 . . . . 0.0 110.99 178.094 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -68.74 -44.83 72.98 Favored 'General case' 0 C--N 1.327 -0.388 0 O-C-N 121.089 -1.007 . . . . 10.0 111.723 -179.386 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -74.2 -14.3 60.92 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.327 0.584 . . . . 10.0 110.441 -179.167 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 46.1 tp -67.03 -18.82 65.54 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.592 -0.731 . . . . 10.0 110.559 179.831 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -62.06 -44.95 95.58 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.032 -0.531 . . . . 10.0 110.855 179.735 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -87.17 -23.27 6.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.168 -0.469 . . . . 10.0 110.818 179.75 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 55.8 t80 -67.45 -35.53 79.39 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.067 -0.515 . . . . 10.0 110.41 179.657 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -59.7 -53.16 61.28 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 116.117 -0.492 . . . . 10.0 110.478 179.394 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' SER . . . . . 0.403 ' HB3' ' OE1' ' C' ' 28' ' ' GLU . 1.4 m -62.3 -31.44 72.04 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.065 -0.516 . . . . 10.0 111.277 -179.863 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -65.92 -49.54 67.63 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.845 0.355 . . . . 10.0 110.472 179.5 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -66.12 -43.06 88.22 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.08 -0.509 . . . . 10.0 110.154 179.546 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -58.02 -51.05 71.26 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.88 -0.6 . . . . 10.0 110.515 179.649 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 3.2 t60 -60.68 -38.46 85.03 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.817 -0.629 . . . . 10.0 110.861 -179.877 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . 0.52 ' NE ' ' HA ' ' A' ' 16' ' ' ARG . 31.4 tpt180 -69.61 -37.93 77.05 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.179 -0.464 . . . . 10.0 111.035 -179.728 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 25.3 tp -66.43 -39.57 88.99 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.721 -0.218 . . . . 10.0 110.984 -179.5 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -57.77 -49.24 77.27 Favored 'General case' 0 C--O 1.235 0.337 0 CA-C-N 116.384 -0.371 . . . . 10.0 111.776 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 7.6 pt-20 -72.01 -30.77 65.56 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.314 -0.403 . . . . 10.0 111.346 -179.341 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 7.4 tp -73.78 -49.46 25.29 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.319 -0.4 . . . . 10.0 111.589 -179.126 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 93.4 m -61.83 -39.15 90.82 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 111.875 0.324 . . . . 10.0 111.875 -179.268 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' MET . . . . . 0.473 ' HG3' ' CG2' ' A' ' 67' ' ' VAL . 30.5 mmm -85.89 -4.44 59.17 Favored 'General case' 0 C--N 1.326 -0.436 0 C-N-CA 121.127 -0.229 . . . . 10.0 111.523 -179.475 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 6.1 t30 54.99 45.91 25.42 Favored 'General case' 0 C--O 1.232 0.148 0 CA-C-O 121.311 0.577 . . . . 10.0 110.593 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 36.1 tttp -162.66 118.45 1.87 Allowed 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.709 -0.678 . . . . 10.0 109.709 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 3.7 mp -74.84 134.43 41.71 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 116.323 -0.398 . . . . 10.0 111.362 -179.382 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 42.6 m-85 -138.23 134.49 34.49 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.531 -0.759 . . . . 10.0 110.175 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -74.04 -42.1 60.77 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 108.766 -0.827 . . . . 10.0 108.766 178.521 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 23.3 pttp -106.17 142.69 35.44 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 108.392 -0.966 . . . . 10.0 108.392 178.245 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 47.7 mm -108.3 120.51 46.43 Favored Pre-proline 0 C--N 1.321 -0.651 0 C-N-CA 120.954 -0.298 . . . . 10.0 111.536 -178.521 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . 0.422 ' HG2' ' HB ' ' A' ' 67' ' ' VAL . 59.9 Cg_endo -82.39 137.39 9.25 Favored 'Trans proline' 0 N--CA 1.453 -0.892 0 C-N-CA 122.348 2.032 . . . . 10.0 110.843 177.949 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -56.73 -25.66 55.16 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 112.223 0.453 . . . . 10.0 112.223 -178.814 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 95.8 p -76.49 -1.18 25.93 Favored 'General case' 0 C--O 1.258 1.551 0 O-C-N 121.556 -0.715 . . . . 0.0 110.975 -178.131 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . 0.473 ' CG2' ' HG3' ' A' ' 56' ' ' MET . 0.9 OUTLIER -102.31 -13.77 8.4 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.047 0 CA-C-N 119.86 1.209 . . . . 10.0 112.095 -178.65 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' TRP . . . . . 0.605 ' CZ2' ' HE2' ' C' ' 32' ' ' LYS . 40.6 m95 -73.68 -5.38 40.18 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 112.187 0.44 . . . . 10.0 112.187 -178.763 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . 0.427 ' HD3' ' O ' ' A' ' 69' ' ' LYS . 12.8 tppt? -69.86 -29.17 66.34 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.244 0.545 . . . . 10.0 110.201 179.285 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 75.0 m-85 -79.62 -10.9 59.87 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.12 -0.491 . . . . 10.0 111.473 -179.056 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 3.7 mp -102.83 113.32 39.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-O 121.305 0.574 . . . . 10.0 109.995 -179.8 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . 0.553 ' HA ' ' NH1' ' B' ' 15' ' ' ARG . 71.9 mtp180 . . . . . 0 C--O 1.246 0.901 0 CA-C-O 118.565 -0.731 . . . . 10.0 110.471 -179.096 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.455 -0.222 0 N-CA-C 109.81 -0.441 . . . . 10.0 109.81 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . -81.66 -49.3 10.65 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.813 -0.631 . . . . 10.0 111.083 -179.734 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -66.21 -14.28 61.64 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.048 -0.524 . . . . 10.0 111.707 -178.918 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 67.1 tttt -78.68 -29.42 45.57 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 120.951 0.405 . . . . 10.0 110.932 -179.819 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 7' ' ' ILE . . . . . . . . . . . . . 13.9 mt -75.03 -26.24 18.98 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-N 116.144 -0.48 . . . . 10.0 110.646 -179.408 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 10.5 mp -81.59 -10.01 59.54 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.777 -0.647 . . . . 10.0 111.128 -179.405 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 9' ' ' ASN . . . . . . . . . . . . . 19.6 t-20 -71.4 -47.53 55.52 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.026 0.441 . . . . 10.0 110.426 -179.821 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 10' ' ' ASN . . . . . 0.513 ' OD1' ' HB2' ' B' ' 12' ' ' ARG . 20.4 t-20 -104.4 130.3 52.28 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.853 -0.612 . . . . 10.0 110.498 -179.732 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 36.6 mt -65.56 -33.11 61.39 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-N 115.747 -0.661 . . . . 10.0 112.648 -178.678 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 12' ' ' ARG . . . . . 0.513 ' HB2' ' OD1' ' B' ' 10' ' ' ASN . 17.6 mmt85 -63.17 -39.74 95.53 Favored 'General case' 0 N--CA 1.465 0.31 0 CA-C-O 120.676 0.274 . . . . 10.0 111.08 -179.1 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 13' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -77.45 -35.12 54.2 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.096 0.475 . . . . 10.0 110.779 179.586 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 47.3 tp -69.16 -41.12 77.68 Favored 'General case' 0 C--O 1.234 0.285 0 CA-C-N 115.701 -0.681 . . . . 10.0 111.94 -179.304 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 15' ' ' ARG . . . . . 0.553 ' NH1' ' HA ' ' A' ' 72' ' ' ARG . 33.8 mtt180 -56.52 -38.85 72.39 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.459 -0.337 . . . . 10.0 111.312 -179.575 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 16' ' ' ALA . . . . . . . . . . . . . . . -65.45 -41.59 93.27 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.318 -0.401 . . . . 10.0 111.512 -179.887 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 17' ' ' GLN . . . . . 0.552 ' O ' ' HG2' ' B' ' 20' ' ' GLU . 3.4 tp60 -70.61 -33.15 70.72 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.046 0.45 . . . . 10.0 111.25 -179.361 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -68.9 -9.6 52.64 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.217 -0.447 . . . . 10.0 112.106 -179.259 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 20.5 mmm180 -83.19 -8.62 59.46 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 111.958 0.355 . . . . 10.0 111.958 -179.53 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 20' ' ' GLU . . . . . 0.552 ' HG2' ' O ' ' B' ' 17' ' ' GLN . 10.7 pt-20 -100.7 2.83 41.83 Favored 'General case' 0 C--N 1.328 -0.356 0 C-N-CA 120.802 -0.359 . . . . 10.0 111.146 179.871 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 21' ' ' CYS . . . . . . . . . . . . . 79.3 m -130.28 152.54 49.59 Favored 'General case' 0 CA--C 1.511 -0.536 0 CA-C-O 120.831 0.348 . . . . 0.0 110.956 179.454 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -81.2 164.98 21.92 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.036 -0.529 . . . . 10.0 111.251 179.16 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 47.6 tp -55.02 -47.82 74.21 Favored 'General case' 0 N--CA 1.463 0.2 0 CA-C-N 116.28 -0.418 . . . . 10.0 111.135 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 40.3 mt-10 -56.86 -43.94 81.69 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.148 -0.478 . . . . 10.0 111.426 -179.237 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -64.28 -43.5 94.58 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.835 0.35 . . . . 10.0 111.061 -179.93 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 26' ' ' LEU . . . . . 0.492 ' O ' ' HG3' ' B' ' 29' ' ' MET . 81.8 mt -68.51 -41.57 79.8 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.931 -0.577 . . . . 10.0 110.663 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 23.5 tt0 -64.51 -41.13 96.6 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.261 -0.427 . . . . 10.0 110.51 179.793 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 13.5 tt0 -61.43 -48.84 79.35 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.017 -0.538 . . . . 10.0 110.837 179.747 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 29' ' ' MET . . . . . 0.492 ' HG3' ' O ' ' B' ' 26' ' ' LEU . 4.5 ppp? -70.21 -26.76 64.02 Favored 'General case' 0 C--N 1.33 -0.258 0 C-N-CA 121.004 -0.278 . . . . 10.0 110.756 -179.369 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 40.2 tp -62.22 -47.09 85.98 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-O 120.918 0.39 . . . . 10.0 109.963 178.655 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 17.9 mt-10 -65.23 -32.83 74.7 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.765 -0.652 . . . . 10.0 110.534 179.676 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 13.1 mttt -65.56 -46.16 80.55 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.201 -0.454 . . . . 10.0 110.22 179.492 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 33' ' ' LEU . . . . . 0.417 ' O ' HG22 ' B' ' 37' ' ' VAL . 52.5 tp -70.36 -39.57 74.56 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.422 -0.354 . . . . 10.0 110.658 179.829 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 11.2 tp10 -56.4 -48.8 76.16 Favored 'General case' 0 CA--C 1.532 0.282 0 CA-C-N 116.133 -0.485 . . . . 10.0 111.525 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 35' ' ' VAL . . . . . 0.437 ' O ' ' HG3' ' B' ' 39' ' ' GLU . 27.2 m -64.89 -34.96 73.93 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.276 0 C-N-CA 120.617 -0.433 . . . . 10.0 111.26 -179.52 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 70.4 t -65.18 -44.01 95.41 Favored 'Isoleucine or valine' 0 C--O 1.238 0.454 0 CA-C-O 121.011 0.434 . . . . 10.0 109.988 179.238 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 37' ' ' VAL . . . . . 0.417 HG22 ' O ' ' B' ' 33' ' ' LEU . 47.6 t -67.44 -38.37 80.59 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.26 0 N-CA-C 109.383 -0.599 . . . . 10.0 109.383 178.88 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 65.3 t30 -60.08 -40.14 88.55 Favored 'General case' 0 C--O 1.234 0.251 0 CA-C-N 116.042 -0.527 . . . . 10.0 109.976 178.889 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 39' ' ' GLU . . . . . 0.437 ' HG3' ' O ' ' B' ' 35' ' ' VAL . 95.2 mt-10 -59.97 -46.33 89.76 Favored 'General case' 0 N--CA 1.456 -0.148 0 N-CA-C 109.37 -0.604 . . . . 10.0 109.37 178.295 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 40' ' ' ARG . . . . . 0.416 HH11 ' HD3' ' B' ' 40' ' ' ARG . 9.6 mmm-85 -61.84 -41.12 97.41 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 115.649 -0.705 . . . . 10.0 110.681 179.458 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 41' ' ' ARG . . . . . . . . . . . . . 59.5 mtt180 -56.93 -44.12 82.14 Favored 'General case' 0 CA--C 1.521 -0.147 0 N-CA-C 109.624 -0.51 . . . . 10.0 109.624 178.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 7.0 tp10 -69.8 -46.72 65.08 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.431 -0.804 . . . . 10.0 111.004 -179.823 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 50.1 mt-10 -58.63 -35.91 73.24 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.453 -0.34 . . . . 10.0 111.791 -178.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -83.72 -32.83 25.3 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 112.356 0.502 . . . . 10.0 112.356 -179.266 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 45' ' ' SER . . . . . . . . . . . . . 23.2 p -79.2 -25.66 42.68 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.895 0.378 . . . . 10.0 110.827 -179.688 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.45 0 CA-C-N 116.15 -0.477 . . . . 10.0 110.85 179.325 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' C' C ' 3' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.143 0 CA-C-O 120.807 0.337 . . . . 10.0 111.101 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 4' ' ' ALA . . . . . . . . . . . . . . . -61.15 -38.07 85.1 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.286 -0.416 . . . . 10.0 111.612 -179.159 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 5' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -67.57 -24.51 65.52 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.129 -0.487 . . . . 10.0 111.516 -179.424 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 6' ' ' LYS . . . . . . . . . . . . . 20.0 tptm -73.16 -38.39 66.22 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.763 0.316 . . . . 10.0 111.164 -179.465 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 7' ' ' ILE . . . . . . . . . . . . . 7.6 mt -66.99 -33.5 63.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-O 121.212 0.53 . . . . 10.0 110.513 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 8' ' ' LEU . . . . . . . . . . . . . 9.0 mp -79.13 -5.87 55.17 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.287 -0.869 . . . . 10.0 111.219 -179.46 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 9' ' ' ASN . . . . . . . . . . . . . 2.4 t-20 -86.32 -14.17 44.4 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.024 0.44 . . . . 10.0 110.406 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 10' ' ' ASN . . . . . 0.512 ' HB3' ' OG1' ' C' ' 13' ' ' THR . 15.2 t-20 -103.24 115.72 31.11 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.73 -0.668 . . . . 10.0 110.032 -179.776 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 11' ' ' ILE . . . . . . . . . . . . . 4.6 tp -58.57 -27.57 34.26 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.353 0 CA-C-N 115.833 -0.621 . . . . 10.0 112.443 -178.632 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 12' ' ' ARG . . . . . . . . . . . . . 15.1 mmt180 -69.02 -56.54 7.44 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.695 0.283 . . . . 10.0 111.026 -179.611 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 13' ' ' THR . . . . . 0.512 ' OG1' ' HB3' ' C' ' 10' ' ' ASN . 1.2 p -67.7 -34.11 76.23 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.187 -0.46 . . . . 10.0 110.995 -179.507 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 14' ' ' LEU . . . . . . . . . . . . . 28.1 tp -59.81 -51.13 71.04 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.164 -0.471 . . . . 10.0 110.296 179.588 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 15' ' ' ARG . . . . . . . . . . . . . 36.5 ttm105 -64.5 -36.05 82.95 Favored 'General case' 0 CA--C 1.532 0.281 0 CA-C-O 120.922 0.391 . . . . 10.0 110.266 179.78 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 16' ' ' ALA . . . . . . . . . . . . . . . -65.3 -46.41 80.5 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.174 -0.466 . . . . 10.0 111.677 -179.907 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 17' ' ' GLN . . . . . . . . . . . . . 98.2 mt-30 -74.21 -39.21 63.27 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.945 0.402 . . . . 10.0 111.49 -179.35 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 18' ' ' ALA . . . . . . . . . . . . . . . -67.32 -28.02 67.64 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.381 -0.372 . . . . 10.0 111.906 -179.532 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 19' ' ' ARG . . . . . . . . . . . . . 7.7 mtt180 -68.62 -12.98 62.04 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 111.938 0.347 . . . . 10.0 111.938 -179.32 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 20' ' ' GLU . . . . . . . . . . . . . 22.7 mt-10 -92.16 -1.47 57.14 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.979 0.418 . . . . 10.0 110.231 179.202 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 21' ' ' CYS . . . . . . . . . . . . . 71.8 m -111.82 153.28 26.82 Favored 'General case' 0 CA--C 1.511 -0.534 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.977 179.574 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 22' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -76.84 152.04 35.64 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.74 -0.664 . . . . 10.0 110.843 179.903 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 16.3 tp -62.83 -33.42 75.19 Favored 'General case' 0 C--N 1.332 -0.17 0 N-CA-C 110.027 -0.36 . . . . 10.0 110.027 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 24' ' ' GLU . . . . . . . . . . . . . 2.2 tp10 -53.9 -44.32 70.4 Favored 'General case' 0 C--O 1.231 0.079 0 CA-C-N 115.819 -0.628 . . . . 10.0 109.901 178.743 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 25' ' ' THR . . . . . 0.456 ' O ' ' HB3' ' C' ' 29' ' ' MET . 0.2 OUTLIER -78.02 -38.73 44.05 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.693 -0.685 . . . . 10.0 111.32 -179.574 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' C' C ' 26' ' ' LEU . . . . . . . . . . . . . 94.4 mt -64.19 -45.62 87.56 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.295 -0.411 . . . . 10.0 111.822 -179.347 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 27' ' ' GLU . . . . . . . . . . . . . 6.6 tp10 -65.82 -50.63 63.93 Favored 'General case' 0 C--N 1.327 -0.408 0 C-N-CA 121.198 -0.201 . . . . 10.0 111.187 -179.209 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 28' ' ' GLU . . . . . 0.436 ' CD ' ' HZ3' ' A' ' 8' ' ' LYS . 2.0 tt0 -69.69 -4.31 19.04 Favored 'General case' 0 N--CA 1.469 0.517 0 N-CA-C 111.736 0.273 . . . . 10.0 111.736 -179.176 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 29' ' ' MET . . . . . 0.456 ' HB3' ' O ' ' C' ' 25' ' ' THR . 3.2 ptp -105.36 -31.54 9.0 Favored 'General case' 0 C--N 1.33 -0.256 0 N-CA-C 109.714 -0.476 . . . . 10.0 109.714 177.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 30' ' ' LEU . . . . . . . . . . . . . 34.5 tp -70.88 -37.45 73.03 Favored 'General case' 0 CA--C 1.518 -0.269 0 N-CA-C 109.766 -0.457 . . . . 10.0 109.766 179.302 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 31' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -60.55 -27.82 67.96 Favored 'General case' 0 N--CA 1.455 -0.209 0 CA-C-N 115.932 -0.576 . . . . 10.0 110.467 179.379 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 32' ' ' LYS . . . . . 0.605 ' HE2' ' CZ2' ' A' ' 68' ' ' TRP . 31.8 mmtp -77.09 -34.41 56.9 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.162 0.506 . . . . 10.0 110.531 179.638 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 33' ' ' LEU . . . . . 0.479 HD22 ' SD ' ' B' ' 29' ' ' MET . 54.8 tp -74.73 -45.54 43.43 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.825 -0.625 . . . . 10.0 111.6 -179.372 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 34' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -61.5 -37.21 82.86 Favored 'General case' 0 C--N 1.33 -0.266 0 C-N-CA 121.021 -0.272 . . . . 10.0 111.583 -178.923 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 35' ' ' VAL . . . . . . . . . . . . . 31.1 m -74.49 -31.4 27.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 C-N-CA 120.743 -0.383 . . . . 10.0 110.525 179.622 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 36' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -67.46 -33.77 64.44 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.288 0 CA-C-O 121.127 0.489 . . . . 10.0 109.745 179.368 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 37' ' ' VAL . . . . . 0.448 HG22 ' O ' ' C' ' 33' ' ' LEU . 57.6 t -77.62 -36.89 23.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 115.969 -0.559 . . . . 10.0 109.911 178.869 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 38' ' ' ASN . . . . . . . . . . . . . 3.0 t30 -60.49 -40.11 90.13 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.993 -0.549 . . . . 10.0 110.361 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 39' ' ' GLU . . . . . . . . . . . . . 10.0 mt-10 -61.28 -39.21 89.56 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.208 -0.451 . . . . 10.0 110.423 179.108 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 40' ' ' ARG . . . . . 0.499 ' HD2' ' OE1' ' C' ' 43' ' ' GLU . 11.8 mmm180 -67.55 -33.99 76.17 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 109.324 -0.621 . . . . 10.0 109.324 178.614 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 41' ' ' ARG . . . . . . . . . . . . . 8.7 mmm180 -63.68 -43.63 96.09 Favored 'General case' 0 C--O 1.232 0.151 0 N-CA-C 109.215 -0.661 . . . . 10.0 109.215 178.625 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 42' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -60.67 -43.29 97.84 Favored 'General case' 0 N--CA 1.455 -0.217 0 CA-C-N 115.43 -0.805 . . . . 10.0 110.337 179.334 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 43' ' ' GLU . . . . . 0.499 ' OE1' ' HD2' ' C' ' 40' ' ' ARG . 49.3 mt-10 -56.83 -46.34 81.75 Favored 'General case' 0 C--O 1.233 0.209 0 CA-C-O 120.955 0.407 . . . . 10.0 110.661 179.395 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 44' ' ' GLU . . . . . . . . . . . . . 1.5 tp10 . . . . . 0 C--N 1.326 -0.456 0 CA-C-N 115.654 -0.703 . . . . 10.0 111.718 -179.256 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.482 1.137 0 CA-C-O 120.512 0.196 . . . . 10.0 110.627 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -91.12 153.94 19.71 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.544 -0.298 . . . . 10.0 110.582 179.685 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 37.7 pttt -70.57 -20.13 62.81 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.752 0.311 . . . . 10.0 110.893 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -67.48 -37.54 83.05 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.301 -0.409 . . . . 10.0 110.649 179.177 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 31.2 m-20 -61.04 -50.58 72.77 Favored 'General case' 0 CA--C 1.521 -0.162 0 CA-C-O 121.401 0.62 . . . . 10.0 109.847 179.543 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 84.7 m-85 -65.59 -35.64 81.42 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.295 -0.866 . . . . 10.0 110.501 179.481 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 60.9 tp -60.45 -42.4 96.06 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.51 -0.313 . . . . 10.0 110.447 179.658 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 14.9 mmt -70.35 -33.8 71.88 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.785 0.326 . . . . 10.0 110.938 -179.756 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.65 -32.29 63.92 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.276 -0.42 . . . . 10.0 110.565 179.602 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 81.8 mt -86.91 -18.28 31.19 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.449 -0.342 . . . . 10.0 111.417 -179.647 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.479 ' HA ' ' NE ' ' A' ' 50' ' ' ARG . 49.8 mtt180 -72.58 -7.04 48.14 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.878 0.371 . . . . 10.0 110.8 179.724 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 61.4 mtm-85 -84.18 -13.82 51.79 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.147 -0.479 . . . . 10.0 109.97 178.763 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 20.7 m -95.89 134.78 38.46 Favored 'General case' 0 C--O 1.236 0.351 0 CA-C-N 115.695 -0.684 . . . . 10.0 109.892 179.181 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 19.3 mm-40 -120.85 -166.99 1.41 Allowed 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.358 -0.383 . . . . 10.0 110.817 -179.378 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' THR . . . . . 0.43 ' O ' ' HB ' ' A' ' 21' ' ' ILE . 11.0 p 60.48 -3.7 0.13 Allowed 'General case' 0 N--CA 1.473 0.711 0 N-CA-C 114.531 1.308 . . . . 10.0 114.531 179.052 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . 0.43 ' HB ' ' O ' ' A' ' 20' ' ' THR . 98.7 mt 71.97 -51.82 0.24 Allowed 'Isoleucine or valine' 0 N--CA 1.474 0.749 0 C-N-CA 122.756 0.422 . . . . 10.0 110.858 -178.952 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -55.3 -39.57 70.05 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.661 -0.7 . . . . 10.0 111.205 179.793 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 5.1 m -65.97 -34.72 78.75 Favored 'General case' 0 C--O 1.235 0.29 0 CA-C-O 121.108 0.48 . . . . 10.0 110.771 179.099 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.484 ' O ' HG12 ' A' ' 28' ' ' ILE . 34.3 tp -68.17 -37.71 81.29 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.958 -0.565 . . . . 10.0 110.646 -179.466 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 19.2 tp10 -64.21 -25.97 68.3 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.039 0.447 . . . . 10.0 111.182 -179.7 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 27.8 mtt85 -80.47 -41.6 24.07 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.565 -0.289 . . . . 10.0 111.583 -179.761 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 13.8 p -68.72 -41.25 82.43 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 C-N-CA 120.906 -0.318 . . . . 10.0 111.308 -178.912 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . 0.484 HG12 ' O ' ' A' ' 24' ' ' LEU . 40.0 pt -67.98 -30.55 48.57 Favored 'Isoleucine or valine' 0 N--CA 1.461 0.1 0 CA-C-O 120.794 0.331 . . . . 10.0 110.46 179.806 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 45.8 tp10 -67.38 -39.85 85.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.984 -0.553 . . . . 10.0 110.181 179.217 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 33.5 mttp -75.6 -47.83 24.88 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.0 -0.546 . . . . 10.0 111.481 -179.516 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . 0.54 ' O ' ' HG ' ' A' ' 35' ' ' LEU . 12.8 m120 -61.81 -24.18 66.7 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.794 0.33 . . . . 10.0 110.796 -179.654 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 18.0 ttmt -57.87 -30.69 66.03 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.911 -0.586 . . . . 10.0 111.083 179.675 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 44.5 m-85 -99.98 5.4 45.16 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.28 -0.418 . . . . 10.0 111.323 -179.31 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 72.9 mt-10 -109.37 -34.06 6.65 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.352 -0.385 . . . . 10.0 111.058 179.789 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.54 ' HG ' ' O ' ' A' ' 31' ' ' ASN . 53.1 mt -67.35 153.29 44.04 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.254 -0.43 . . . . 10.0 111.312 -179.053 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' SER . . . . . 0.613 ' HB2' ' OD1' ' A' ' 38' ' ' ASN . 1.3 m -95.03 15.14 19.66 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.961 -0.563 . . . . 10.0 111.313 -178.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . 0.484 ' HB2' ' O ' ' A' ' 36' ' ' SER . 98.5 m-20 78.69 -26.23 0.18 Allowed 'General case' 0 C--O 1.257 1.5 0 C-N-CA 124.733 1.213 . . . . 0.0 111.06 177.337 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . 0.613 ' OD1' ' HB2' ' A' ' 36' ' ' SER . 3.0 p-10 -72.48 -38.62 68.13 Favored 'General case' 0 C--N 1.322 -0.63 0 O-C-N 120.507 -1.371 . . . . 10.0 111.223 -179.024 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -88.91 -12.06 42.77 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.255 0.55 . . . . 10.0 109.828 -179.832 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 54.8 tp -60.63 -26.38 66.99 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.395 -0.821 . . . . 10.0 110.717 179.607 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -59.14 -52.67 64.73 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.153 -0.476 . . . . 10.0 111.231 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 5.7 m -79.03 -24.3 12.85 Favored 'Isoleucine or valine' 0 C--O 1.233 0.236 0 C-N-CA 120.933 -0.307 . . . . 10.0 110.674 179.612 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 49.2 t80 -64.76 -38.61 91.58 Favored 'General case' 0 C--N 1.33 -0.273 0 N-CA-C 109.665 -0.495 . . . . 10.0 109.665 178.902 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 1.6 m-85 -60.05 -45.25 93.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.026 -0.534 . . . . 10.0 109.711 178.541 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' SER . . . . . 0.625 ' O ' ' HB2' ' A' ' 49' ' ' HIS . 23.8 m -62.0 -38.92 90.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.72 -0.673 . . . . 10.0 110.666 179.15 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -65.11 -46.4 81.2 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.327 -0.397 . . . . 10.0 111.031 179.827 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -64.3 -49.57 71.26 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.032 -0.531 . . . . 10.0 110.715 179.737 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 18.7 m-20 -59.15 -45.27 91.41 Favored 'General case' 0 N--CA 1.463 0.211 0 CA-C-O 121.251 0.548 . . . . 10.0 110.147 179.593 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' HIS . . . . . 0.625 ' HB2' ' O ' ' A' ' 45' ' ' SER . 0.7 OUTLIER -61.11 -45.96 92.56 Favored 'General case' 0 N--CA 1.462 0.169 0 CA-C-N 115.566 -0.743 . . . . 10.0 110.63 -180.0 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . 0.479 ' NE ' ' HA ' ' A' ' 16' ' ' ARG . 23.0 tpt180 -63.63 -40.72 97.6 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.644 -0.707 . . . . 10.0 111.525 -179.623 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 35.7 tp -68.18 -40.21 82.34 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.532 -0.304 . . . . 10.0 110.892 -179.679 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -60.3 -50.49 73.41 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.355 -0.384 . . . . 10.0 111.978 -179.738 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -65.74 -34.65 78.69 Favored 'General case' 0 C--O 1.235 0.292 0 CA-C-O 120.822 0.344 . . . . 10.0 111.073 -179.345 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 8.2 tp -73.55 -34.52 65.21 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.271 -0.422 . . . . 10.0 111.508 -179.474 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 78.3 m -71.02 -42.7 69.21 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.83 0.348 . . . . 10.0 111.102 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 95.1 mmm -79.97 -11.88 59.76 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.222 -0.445 . . . . 10.0 110.815 -179.911 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 21.8 t30 61.12 35.3 18.68 Favored 'General case' 0 N--CA 1.464 0.275 0 CA-C-N 115.546 -0.752 . . . . 10.0 111.041 179.73 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 18.8 tptp -151.59 113.75 4.52 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.721 -0.672 . . . . 10.0 109.478 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 2.2 mp -70.3 130.04 40.93 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 116.14 -0.482 . . . . 10.0 111.495 -179.554 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 21.5 m-85 -138.99 139.36 37.87 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.617 -0.72 . . . . 10.0 109.593 179.368 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 69.8 m-20 -60.56 -54.32 46.85 Favored 'General case' 0 CA--C 1.514 -0.407 0 N-CA-C 108.952 -0.758 . . . . 10.0 108.952 178.791 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -101.92 145.2 29.57 Favored 'General case' 0 N--CA 1.446 -0.667 0 N-CA-C 108.076 -1.083 . . . . 10.0 108.076 177.572 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 40.6 mm -104.87 119.11 54.48 Favored Pre-proline 0 C--N 1.319 -0.75 0 C-N-CA 120.384 -0.526 . . . . 10.0 111.265 -179.188 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 48.6 Cg_exo -55.06 143.69 72.59 Favored 'Trans proline' 0 CA--C 1.532 0.405 0 C-N-CA 122.668 2.245 . . . . 10.0 111.54 178.434 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -55.27 -39.35 69.71 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 113.217 0.821 . . . . 10.0 113.217 -177.881 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 97.8 p -69.11 -9.73 54.16 Favored 'General case' 0 C--O 1.258 1.523 0 O-C-N 121.653 -0.654 . . . . 0.0 111.0 -177.251 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 91.1 t -82.51 -29.2 8.87 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.116 0 CA-C-N 119.462 1.028 . . . . 10.0 111.279 -178.579 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' TRP . . . . . 0.445 ' HA ' HD13 ' A' ' 71' ' ' ILE . 64.7 m95 -63.19 -15.78 58.05 Favored 'General case' 0 N--CA 1.466 0.351 0 CA-C-O 121.12 0.486 . . . . 10.0 111.377 -179.51 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 25.4 tptp -73.4 -18.38 61.16 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.893 -0.594 . . . . 10.0 111.529 -179.493 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 33.9 m-85 -96.13 8.38 43.96 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 111.848 0.314 . . . . 10.0 111.848 -178.667 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . 0.445 HD13 ' HA ' ' A' ' 68' ' ' TRP . 1.7 mp -89.42 127.03 42.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-O 121.005 0.431 . . . . 10.0 110.456 -179.917 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . 0.416 HH11 ' HD3' ' A' ' 72' ' ' ARG . 4.7 mmp_? . . . . . 0 C--O 1.251 1.141 0 CA-C-O 118.431 -0.795 . . . . 10.0 110.071 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.449 -0.482 0 CA-C-O 120.935 0.397 . . . . 10.0 110.156 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . -78.06 -37.05 47.56 Favored 'General case' 0 N--CA 1.454 -0.263 0 CA-C-N 116.196 -0.456 . . . . 10.0 110.964 -179.916 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 8.1 mp -72.4 -10.18 59.46 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.313 -0.403 . . . . 10.0 111.24 -179.812 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 9.5 tptt -74.68 -49.33 21.69 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.168 -0.469 . . . . 10.0 110.672 -179.627 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 7' ' ' ILE . . . . . . . . . . . . . 26.9 pt -76.63 -16.45 14.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.035 -0.529 . . . . 10.0 111.345 -179.374 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -75.63 -17.02 60.13 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.897 -0.592 . . . . 10.0 112.106 -179.287 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 9' ' ' ASN . . . . . . . . . . . . . 65.3 t30 -81.77 -5.4 58.13 Favored 'General case' 0 C--N 1.33 -0.28 0 C-N-CA 120.999 -0.28 . . . . 10.0 111.639 -178.89 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 10' ' ' ASN . . . . . 0.482 ' HB3' ' OG1' ' B' ' 13' ' ' THR . 15.5 t-20 -122.08 128.88 51.86 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.233 0.539 . . . . 10.0 110.901 179.423 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 15.4 mt -61.38 -36.54 73.7 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-N 115.202 -0.908 . . . . 10.0 112.29 -178.456 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 12' ' ' ARG . . . . . 0.482 ' HB2' ' OD1' ' B' ' 10' ' ' ASN . 98.0 mtt180 -64.19 -51.13 65.25 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.746 -0.206 . . . . 10.0 111.475 -179.254 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 13' ' ' THR . . . . . 0.482 ' OG1' ' HB3' ' B' ' 10' ' ' ASN . 0.6 OUTLIER -66.64 -36.03 81.6 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.129 0.49 . . . . 10.0 110.862 179.896 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 11.6 tp -61.8 -38.54 88.47 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.524 -0.762 . . . . 10.0 110.969 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 15' ' ' ARG . . . . . 0.402 ' O ' ' HG2' ' B' ' 19' ' ' ARG . 62.3 mtt180 -61.88 -37.96 86.53 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.27 -0.423 . . . . 10.0 111.256 179.673 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 16' ' ' ALA . . . . . . . . . . . . . . . -67.69 -41.87 82.98 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.358 -0.383 . . . . 10.0 112.014 -179.124 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 17' ' ' GLN . . . . . 0.58 ' O ' ' HG2' ' B' ' 20' ' ' GLU . 0.9 OUTLIER -74.11 -27.23 60.77 Favored 'General case' 0 C--N 1.327 -0.392 0 C-N-CA 120.946 -0.302 . . . . 10.0 110.948 -179.391 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -77.15 0.89 19.99 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.962 0.411 . . . . 10.0 111.214 179.808 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 19' ' ' ARG . . . . . 0.402 ' HG2' ' O ' ' B' ' 15' ' ' ARG . 20.8 mmt180 -88.78 -8.88 53.63 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.293 -0.412 . . . . 10.0 110.77 179.833 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 20' ' ' GLU . . . . . 0.58 ' HG2' ' O ' ' B' ' 17' ' ' GLN . 11.2 pt-20 -107.44 8.72 29.65 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.156 0.503 . . . . 10.0 110.845 -179.821 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 21' ' ' CYS . . . . . . . . . . . . . 65.5 m -127.49 133.99 49.84 Favored 'General case' 0 CA--C 1.511 -0.552 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.967 179.571 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -66.81 159.05 28.94 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 116.325 -0.398 . . . . 10.0 110.68 178.16 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 29.6 tp -50.84 -44.38 59.41 Favored 'General case' 0 C--N 1.33 -0.26 0 O-C-N 123.445 0.466 . . . . 10.0 111.646 -179.323 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -53.64 -49.32 68.16 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.917 -0.583 . . . . 10.0 112.055 -179.462 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -61.28 -40.46 94.2 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.469 -0.332 . . . . 10.0 111.235 -179.844 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 82.5 mt -64.01 -44.91 91.18 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.02 -0.536 . . . . 10.0 110.434 -179.873 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 8.8 mt-10 -66.1 -43.22 87.87 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.257 -0.428 . . . . 10.0 110.538 179.339 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 15.2 tt0 -61.37 -46.1 91.62 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.119 -0.491 . . . . 10.0 111.24 -179.728 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 29' ' ' MET . . . . . . . . . . . . . 20.7 ptp -68.5 -31.67 71.09 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.685 -0.234 . . . . 10.0 110.99 -179.355 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 52.3 tp -64.82 -43.43 93.15 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 109.736 -0.468 . . . . 10.0 109.736 179.576 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 -63.71 -40.45 96.79 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.72 -0.673 . . . . 10.0 110.476 179.007 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -66.34 -40.32 89.77 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.802 -0.635 . . . . 10.0 110.862 179.831 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 33' ' ' LEU . . . . . 0.47 ' O ' HG22 ' B' ' 37' ' ' VAL . 26.7 tp -70.96 -37.25 72.78 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.035 0.445 . . . . 10.0 110.034 179.057 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 5.2 tp10 -55.5 -52.21 64.43 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.675 -0.693 . . . . 10.0 111.539 179.845 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 35' ' ' VAL . . . . . . . . . . . . . 34.5 m -64.95 -29.85 48.61 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.109 0 CA-C-N 116.65 -0.25 . . . . 10.0 111.494 -179.235 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 24.3 t -69.6 -46.61 75.0 Favored 'Isoleucine or valine' 0 C--O 1.234 0.261 0 N-CA-C 109.709 -0.478 . . . . 10.0 109.709 179.02 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 37' ' ' VAL . . . . . 0.47 HG22 ' O ' ' B' ' 33' ' ' LEU . 48.6 t -65.09 -35.12 74.69 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.161 0 N-CA-C 109.087 -0.709 . . . . 10.0 109.087 178.336 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 56.3 t30 -62.61 -40.68 97.74 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.721 -0.672 . . . . 10.0 109.726 178.699 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 39' ' ' GLU . . . . . 0.509 ' O ' ' HG3' ' B' ' 43' ' ' GLU . 79.7 mt-10 -61.13 -47.39 86.46 Favored 'General case' 0 CA--C 1.52 -0.183 0 CA-C-N 116.026 -0.534 . . . . 10.0 109.76 178.694 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 7.9 mmm180 -64.1 -42.85 96.75 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.894 -0.594 . . . . 10.0 110.191 179.487 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 41' ' ' ARG . . . . . 0.407 HH21 ' CD ' ' C' ' 27' ' ' GLU . 82.8 mtt180 -60.34 -39.85 88.58 Favored 'General case' 0 CA--C 1.521 -0.144 0 CA-C-N 116.119 -0.492 . . . . 10.0 110.271 179.542 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 7.0 tp10 -60.08 -50.93 71.77 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.886 -0.597 . . . . 10.0 109.957 178.851 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 43' ' ' GLU . . . . . 0.509 ' HG3' ' O ' ' B' ' 39' ' ' GLU . 59.0 mt-10 -64.93 -38.45 91.02 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.044 -0.526 . . . . 10.0 110.54 -179.874 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 2.5 tp10 -62.91 -34.62 77.83 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.931 -0.577 . . . . 10.0 111.793 -179.563 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 45' ' ' SER . . . . . . . . . . . . . 3.2 p -92.48 -26.14 18.1 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 112.131 0.419 . . . . 10.0 112.131 -178.76 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.327 -0.373 0 CA-C-O 120.637 0.256 . . . . 10.0 111.359 179.946 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' C' C ' 3' ' ' GLU . . . . . . . . . . . . . 2.7 mp0 . . . . . 0 CA--C 1.528 0.112 0 CA-C-O 120.985 0.421 . . . . 10.0 111.625 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' C' C ' 4' ' ' ALA . . . . . . . . . . . . . . . -81.2 12.28 3.61 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 112.639 0.607 . . . . 10.0 112.639 -178.895 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 5' ' ' LEU . . . . . . . . . . . . . 78.2 mt -124.97 -22.64 4.42 Favored 'General case' 0 C--N 1.328 -0.363 0 C-N-CA 121.055 -0.258 . . . . 10.0 111.517 -179.404 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 6' ' ' LYS . . . . . . . . . . . . . 20.3 tptm -59.1 -48.14 82.68 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 111.789 0.292 . . . . 10.0 111.789 -178.91 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 7' ' ' ILE . . . . . 0.4 HD13 ' H ' ' C' ' 7' ' ' ILE . 0.3 OUTLIER -68.74 -16.36 20.82 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 116.402 -0.363 . . . . 10.0 111.832 -179.523 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' C' C ' 8' ' ' LEU . . . . . . . . . . . . . 3.1 mp -83.74 -17.5 41.01 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.988 0.423 . . . . 10.0 111.361 -179.514 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 9' ' ' ASN . . . . . . . . . . . . . 8.0 t-20 -85.5 -7.59 58.81 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.184 -0.462 . . . . 10.0 111.67 -178.525 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 10' ' ' ASN . . . . . 0.469 ' HB2' ' OG1' ' C' ' 13' ' ' THR . 22.1 m120 -103.73 119.86 39.77 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 109.817 -0.438 . . . . 10.0 109.817 179.399 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 11' ' ' ILE . . . . . . . . . . . . . 12.2 tt -62.27 -27.22 42.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.673 0.273 . . . . 10.0 111.168 -179.213 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 12' ' ' ARG . . . . . . . . . . . . . 38.4 mmt180 -63.57 -53.56 49.78 Favored 'General case' 0 C--O 1.234 0.275 0 CA-C-N 116.588 -0.278 . . . . 10.0 110.542 179.689 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 13' ' ' THR . . . . . 0.469 ' OG1' ' HB2' ' C' ' 10' ' ' ASN . 0.7 OUTLIER -72.28 -37.47 69.03 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.345 -0.389 . . . . 10.0 111.092 179.901 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' C' C ' 14' ' ' LEU . . . . . . . . . . . . . 16.9 tp -59.83 -47.79 84.31 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.03 -0.532 . . . . 10.0 110.863 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 15' ' ' ARG . . . . . 0.404 HH11 ' HD2' ' C' ' 15' ' ' ARG . 36.6 ttm105 -68.46 -23.4 64.59 Favored 'General case' 0 CA--C 1.533 0.297 0 CA-C-O 121.08 0.467 . . . . 10.0 110.787 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 16' ' ' ALA . . . . . . . . . . . . . . . -80.04 -51.3 9.2 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.312 -0.404 . . . . 10.0 110.718 -179.874 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 17' ' ' GLN . . . . . . . . . . . . . 13.3 mt-30 -73.5 -9.89 59.15 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.29 -0.414 . . . . 10.0 111.701 -179.081 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 18' ' ' ALA . . . . . . . . . . . . . . . -74.58 -6.37 48.18 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.004 0.43 . . . . 10.0 110.532 178.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.64 -1.88 57.86 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.004 -0.543 . . . . 10.0 110.243 179.704 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 20' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -72.01 -29.82 64.59 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.85 -0.614 . . . . 10.0 110.787 -179.568 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 21' ' ' CYS . . . . . . . . . . . . . 72.9 m -135.1 160.15 39.27 Favored 'General case' 0 CA--C 1.51 -0.558 0 CA-C-O 121.572 0.701 . . . . 0.0 110.959 -179.806 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 22' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -78.04 168.84 19.26 Favored 'General case' 0 C--O 1.235 0.331 0 CA-C-N 115.445 -0.798 . . . . 10.0 111.079 179.144 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 23.7 tp -57.07 -27.88 62.09 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-N 116.334 -0.394 . . . . 10.0 111.319 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 24' ' ' GLU . . . . . . . . . . . . . 7.5 tp10 -52.86 -62.95 1.32 Allowed 'General case' 0 N--CA 1.463 0.187 0 CA-C-N 116.027 -0.533 . . . . 10.0 110.83 179.726 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 25' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -66.4 -35.89 81.47 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.317 -0.401 . . . . 10.0 111.236 -179.696 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 26' ' ' LEU . . . . . . . . . . . . . 34.8 mt -61.44 -42.3 98.54 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.106 -0.497 . . . . 10.0 111.264 -179.87 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 27' ' ' GLU . . . . . 0.407 ' CD ' HH21 ' B' ' 41' ' ' ARG . 12.1 tt0 -69.13 -46.85 66.61 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.497 -0.319 . . . . 10.0 111.447 -179.246 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 28' ' ' GLU . . . . . 0.434 ' O ' ' HG3' ' C' ' 32' ' ' LYS . 32.5 tt0 -59.08 -37.34 76.86 Favored 'General case' 0 N--CA 1.464 0.254 0 O-C-N 123.055 0.222 . . . . 10.0 111.096 -179.062 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 29' ' ' MET . . . . . . . . . . . . . 19.2 ptp -81.34 -29.53 34.09 Favored 'General case' 0 C--N 1.331 -0.236 0 C-N-CA 120.85 -0.34 . . . . 10.0 111.086 179.641 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 30' ' ' LEU . . . . . . . . . . . . . 11.0 tp -64.1 -47.06 81.49 Favored 'General case' 0 C--O 1.235 0.31 0 CA-C-O 120.952 0.406 . . . . 10.0 110.452 179.631 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 31' ' ' GLU . . . . . 0.454 ' HA ' ' OE2' ' C' ' 34' ' ' GLU . 38.3 mt-10 -64.13 -22.19 66.84 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.448 -0.796 . . . . 10.0 111.062 -179.626 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 32' ' ' LYS . . . . . 0.434 ' HG3' ' O ' ' C' ' 28' ' ' GLU . 93.3 mttt -82.06 -28.68 32.29 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.112 0.482 . . . . 10.0 110.744 179.188 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 33' ' ' LEU . . . . . . . . . . . . . 22.9 tp -77.83 -43.67 29.7 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 116.225 -0.443 . . . . 10.0 112.155 -178.653 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 34' ' ' GLU . . . . . 0.454 ' OE2' ' HA ' ' C' ' 31' ' ' GLU . 13.2 pt-20 -58.93 -35.11 72.55 Favored 'General case' 0 C--N 1.33 -0.26 0 N-CA-C 112.335 0.494 . . . . 10.0 112.335 -178.303 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 35' ' ' VAL . . . . . . . . . . . . . 27.7 m -72.52 -32.08 40.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 C-N-CA 120.464 -0.494 . . . . 10.0 110.835 179.556 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 36' ' ' VAL . . . . . . . . . . . . . 42.0 t -66.96 -44.22 88.73 Favored 'Isoleucine or valine' 0 C--O 1.235 0.291 0 CA-C-O 121.103 0.477 . . . . 10.0 110.229 179.533 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 37' ' ' VAL . . . . . . . . . . . . . 59.0 t -59.92 -37.28 71.46 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 115.734 -0.666 . . . . 10.0 109.909 179.128 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 38' ' ' ASN . . . . . 0.457 ' O ' ' HG3' ' C' ' 42' ' ' GLU . 2.4 t30 -63.14 -40.14 96.72 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.025 -0.534 . . . . 10.0 110.858 179.628 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 39' ' ' GLU . . . . . 0.528 ' O ' ' HG3' ' C' ' 43' ' ' GLU . 2.9 mt-10 -61.99 -43.77 98.14 Favored 'General case' 0 CA--C 1.521 -0.156 0 N-CA-C 109.335 -0.617 . . . . 10.0 109.335 178.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 40' ' ' ARG . . . . . 0.583 ' HD2' ' OE1' ' C' ' 43' ' ' GLU . 8.3 mmm180 -63.94 -34.37 77.82 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.682 -0.69 . . . . 10.0 109.612 178.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 41' ' ' ARG . . . . . . . . . . . . . 11.3 mmm180 -62.83 -46.49 87.71 Favored 'General case' 0 C--N 1.332 -0.167 0 N-CA-C 109.269 -0.641 . . . . 10.0 109.269 178.268 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 42' ' ' GLU . . . . . 0.457 ' HG3' ' O ' ' C' ' 38' ' ' ASN . 44.4 mt-10 -58.95 -36.05 74.17 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.549 -0.75 . . . . 10.0 111.05 -179.867 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 43' ' ' GLU . . . . . 0.583 ' OE1' ' HD2' ' C' ' 40' ' ' ARG . 46.2 mt-10 -72.01 -47.01 54.98 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.78 0.324 . . . . 10.0 110.749 179.914 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 44' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -66.53 -25.78 66.84 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.078 -0.51 . . . . 10.0 111.082 -179.58 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 45' ' ' SER . . . . . . . . . . . . . 50.1 m -82.39 -22.72 35.29 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.923 0.392 . . . . 10.0 110.536 178.495 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 46' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.447 0 CA-C-N 116.346 -0.388 . . . . 10.0 111.717 -179.443 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 5.0 mp . . . . . 0 N--CA 1.481 1.092 0 N-CA-C 109.807 -0.442 . . . . 10.0 109.807 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -72.95 147.57 45.11 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 120.658 0.266 . . . . 10.0 111.529 -179.507 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.413 ' HD2' ' HB2' ' A' ' 45' ' ' SER . 29.2 pttt -64.46 -27.62 69.11 Favored 'General case' 0 CA--C 1.531 0.226 0 CA-C-O 121.046 0.45 . . . . 10.0 110.488 179.528 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -67.82 -29.45 68.61 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.829 -0.623 . . . . 10.0 111.291 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -63.98 -52.21 60.66 Favored 'General case' 0 CA--C 1.52 -0.2 0 CA-C-O 121.121 0.486 . . . . 10.0 109.864 179.878 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 6.8 m-85 -63.11 -39.47 94.77 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.612 -0.722 . . . . 10.0 109.908 179.852 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 40.9 tp -57.82 -46.49 84.62 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.766 -0.652 . . . . 10.0 110.88 179.768 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 38.8 mmm -65.52 -38.34 89.38 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.214 -0.448 . . . . 10.0 111.133 -179.751 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.27 -35.92 81.65 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.277 -0.42 . . . . 10.0 110.285 179.316 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 92.6 mt -80.32 -9.46 59.74 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.018 -0.537 . . . . 10.0 111.429 -179.661 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -72.4 -12.56 61.16 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.449 -0.341 . . . . 10.0 110.549 179.661 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 84.3 mtm-85 -86.58 -7.03 58.7 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.297 -0.411 . . . . 10.0 111.219 -179.866 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 3.9 m -102.71 135.03 45.1 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.421 -0.354 . . . . 10.0 110.43 -179.825 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 1.2 mm-40 -131.24 178.46 6.68 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.352 -0.385 . . . . 10.0 110.529 -179.909 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' THR . . . . . 0.455 ' C ' ' H ' ' A' ' 22' ' ' ASP . 2.1 m 68.31 -5.15 0.95 Allowed 'General case' 0 CA--C 1.539 0.523 0 CA-C-N 115.597 -0.728 . . . . 10.0 112.35 179.299 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 68.1 mt 73.29 -37.34 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.47 0.544 0 C-N-CA 123.308 0.643 . . . . 10.0 111.267 -179.578 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . 0.455 ' H ' ' C ' ' A' ' 20' ' ' THR . 7.5 t70 -49.13 -50.98 34.88 Favored 'General case' 0 N--CA 1.465 0.29 0 C-N-CA 123.438 0.695 . . . . 10.0 111.648 179.332 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 2.2 m -67.54 -34.41 77.03 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.027 -0.533 . . . . 10.0 111.45 -179.884 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.515 ' O ' HG11 ' A' ' 27' ' ' VAL . 31.3 tp -69.5 -42.77 74.29 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.296 -0.411 . . . . 10.0 111.062 -179.344 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 7.8 tp10 -56.27 -47.78 77.91 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.181 0.515 . . . . 10.0 110.788 179.819 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 2.9 mtm105 -75.21 -28.96 60.16 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.148 -0.478 . . . . 10.0 111.838 -179.18 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.515 HG11 ' O ' ' A' ' 24' ' ' LEU . 0.7 OUTLIER -71.74 -38.22 65.33 Favored 'Isoleucine or valine' 0 C--O 1.234 0.262 0 C-N-CA 120.879 -0.328 . . . . 10.0 111.084 -179.196 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . 0.422 HG12 ' O ' ' A' ' 24' ' ' LEU . 45.7 pt -79.1 -28.81 13.7 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.191 0 CA-C-O 120.849 0.357 . . . . 10.0 110.148 179.504 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 13.0 tp10 -70.82 -43.46 68.56 Favored 'General case' 0 N--CA 1.452 -0.346 0 CA-C-N 115.917 -0.583 . . . . 10.0 109.97 179.526 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 27.2 mttp -64.26 -39.73 94.55 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.988 -0.551 . . . . 10.0 110.879 179.425 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 9.9 m120 -75.15 -21.64 58.66 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.356 -0.384 . . . . 10.0 110.938 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 32.8 ttmt -59.35 -33.5 71.23 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.392 -0.367 . . . . 10.0 111.306 -179.623 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 3.8 m-85 -94.76 8.54 42.2 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.777 0.323 . . . . 10.0 110.744 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 59.7 mt-10 -116.27 -24.76 7.81 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.94 0.4 . . . . 10.0 111.052 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 14.7 mt -68.61 155.3 40.27 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.871 -0.604 . . . . 10.0 110.61 179.83 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' SER . . . . . 0.547 ' HB2' ' OD1' ' A' ' 38' ' ' ASN . 0.7 OUTLIER -101.13 15.7 27.87 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 115.952 -0.567 . . . . 10.0 110.531 -178.834 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . 0.444 ' HB2' ' O ' ' A' ' 36' ' ' SER . 98.5 m-20 76.54 -38.96 0.34 Allowed 'General case' 0 C--O 1.257 1.459 0 C-N-CA 124.546 1.138 . . . . 0.0 111.0 177.922 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . 0.547 ' OD1' ' HB2' ' A' ' 36' ' ' SER . 23.5 p-10 -65.53 -33.66 76.44 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 121.027 -1.046 . . . . 10.0 111.68 -179.007 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -93.13 -18.47 22.55 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 109.34 -0.615 . . . . 10.0 109.34 178.743 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 47.0 tp -63.52 -32.4 73.84 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.387 -0.824 . . . . 10.0 110.323 179.771 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -58.06 -44.89 87.73 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 115.767 -0.652 . . . . 10.0 111.515 -179.922 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 31.6 m -87.66 -14.68 9.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.624 0.25 . . . . 10.0 111.143 -179.922 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 59.7 t80 -68.74 -30.63 69.29 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 109.582 -0.525 . . . . 10.0 109.582 178.916 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 11.8 m-85 -62.2 -37.83 86.83 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.711 -0.677 . . . . 10.0 110.711 179.224 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' SER . . . . . 0.457 ' O ' ' HB2' ' A' ' 49' ' ' HIS . 0.0 OUTLIER -64.82 -14.18 58.36 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.074 -0.512 . . . . 10.0 111.224 -179.848 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -103.6 -44.36 5.12 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 109.765 -0.458 . . . . 10.0 109.765 178.893 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -62.72 -55.69 24.36 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.847 -0.615 . . . . 10.0 110.958 179.814 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -60.24 -44.98 94.76 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 121.063 0.459 . . . . 10.0 110.129 179.69 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' HIS . . . . . 0.457 ' HB2' ' O ' ' A' ' 45' ' ' SER . 3.5 t60 -57.73 -47.66 81.81 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.905 -0.589 . . . . 10.0 110.882 -179.751 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 31.6 tpt180 -68.93 -40.55 78.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.329 -0.396 . . . . 10.0 110.733 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 22.4 tp -60.25 -41.8 93.98 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.8 0.333 . . . . 10.0 110.811 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -61.07 -53.11 61.22 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.197 -0.456 . . . . 10.0 111.705 -179.766 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 20.9 pt-20 -67.95 -31.24 70.84 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.242 -0.435 . . . . 10.0 110.874 -179.315 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 16.6 tp -69.86 -38.32 76.38 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.063 -0.517 . . . . 10.0 111.038 -179.754 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 48.1 m -65.67 -39.52 91.41 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.064 0.459 . . . . 10.0 110.419 179.708 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 60.9 mmm -83.59 -7.11 59.58 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.124 -0.489 . . . . 10.0 110.32 179.51 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 33.9 t30 58.4 30.36 19.52 Favored 'General case' 0 N--CA 1.461 0.121 0 CA-C-N 115.42 -0.809 . . . . 10.0 110.228 -179.616 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -142.89 123.29 13.9 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.44 -0.8 . . . . 10.0 110.046 -179.216 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 8.5 mp -70.56 133.48 46.79 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.494 -0.321 . . . . 10.0 110.554 -179.803 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 40.3 m-85 -139.09 127.35 22.69 Favored 'General case' 0 C--O 1.238 0.474 0 CA-C-O 120.906 0.384 . . . . 10.0 110.552 -179.741 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 19.2 p-10 -65.69 -42.06 91.68 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.138 -0.483 . . . . 10.0 109.971 179.608 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 38.0 mttp -114.92 113.91 24.79 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 109.154 -0.684 . . . . 10.0 109.154 178.276 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.438 HG22 ' CZ2' ' A' ' 68' ' ' TRP . 45.6 mm -76.96 131.71 72.6 Favored Pre-proline 0 C--N 1.319 -0.732 0 CA-C-N 115.855 -0.611 . . . . 10.0 111.678 -178.492 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . 0.4 ' HD3' ' HA ' ' A' ' 63' ' ' ILE . 10.4 Cg_exo -70.55 137.76 33.84 Favored 'Trans proline' 0 C--N 1.349 0.599 0 C-N-CA 122.552 2.168 . . . . 10.0 111.347 178.44 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -71.36 6.77 1.59 Allowed 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 112.961 0.726 . . . . 10.0 112.961 -178.132 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 88.6 p -117.88 -7.12 10.97 Favored 'General case' 0 C--O 1.245 0.855 0 O-C-N 121.689 -0.632 . . . . 0.0 110.987 -179.865 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 5.1 p -73.93 -20.68 17.82 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.776 0 CA-C-O 121.053 0.454 . . . . 10.0 111.532 -178.05 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' TRP . . . . . 0.438 ' CZ2' HG22 ' A' ' 63' ' ' ILE . 63.0 m95 -65.67 -17.09 64.35 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.003 -0.544 . . . . 10.0 111.397 -179.278 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 2.2 tppp? -73.27 -18.16 61.25 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.011 0.434 . . . . 10.0 110.722 179.534 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 81.1 m-85 -99.95 9.72 42.47 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.467 -0.333 . . . . 10.0 111.133 -179.41 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 13.2 mt -122.47 138.49 52.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-O 120.577 0.227 . . . . 10.0 110.958 -179.024 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 19.8 mtp85 . . . . . 0 C--O 1.249 1.031 0 CA-C-O 118.511 -0.756 . . . . 10.0 110.135 179.865 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 3' ' ' GLU . . . . . 0.42 ' H ' ' CD ' ' B' ' 3' ' ' GLU . 0.1 OUTLIER . . . . . 0 N--CA 1.456 -0.13 0 CA-C-O 120.855 0.36 . . . . 10.0 110.956 . . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . -62.58 -36.95 84.33 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.01 0.433 . . . . 10.0 111.289 -179.92 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 8.6 mp -74.66 -12.01 60.33 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.084 -0.507 . . . . 10.0 111.338 -179.411 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 6' ' ' LYS . . . . . 0.404 ' HB3' ' O ' ' B' ' 3' ' ' GLU . 27.7 ttpt -68.4 -42.02 79.63 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.963 0.411 . . . . 10.0 110.79 179.879 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 7' ' ' ILE . . . . . . . . . . . . . 22.1 pt -89.98 -7.58 10.78 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 CA-C-N 116.262 -0.426 . . . . 10.0 111.53 -179.062 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 9.8 tp -84.83 -5.15 59.33 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.27 0.557 . . . . 10.0 110.148 -179.908 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 9' ' ' ASN . . . . . . . . . . . . . 53.5 t30 -95.13 -6.54 41.62 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.836 -0.62 . . . . 10.0 111.372 -179.331 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 10' ' ' ASN . . . . . . . . . . . . . 23.0 t-20 -126.93 121.16 30.97 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.979 0.419 . . . . 10.0 111.09 -179.427 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 3.4 pt -63.52 -37.55 79.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 N-CA-C 113.057 0.762 . . . . 10.0 113.057 -178.56 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 12' ' ' ARG . . . . . . . . . . . . . 17.6 mtt180 -62.5 -44.29 96.73 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 112.123 0.416 . . . . 10.0 112.123 -178.035 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 13' ' ' THR . . . . . . . . . . . . . 22.8 m -76.35 -39.61 53.43 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 120.95 0.405 . . . . 10.0 110.822 179.875 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 31.6 tp -63.04 -36.78 84.69 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.92 -0.582 . . . . 10.0 110.919 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 40.6 mtt180 -53.48 -47.58 69.68 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.1 -0.5 . . . . 10.0 111.313 179.904 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 16' ' ' ALA . . . . . . . . . . . . . . . -59.81 -43.25 94.57 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.064 -0.516 . . . . 10.0 112.228 -178.794 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 17' ' ' GLN . . . . . . . . . . . . . 1.3 mp0 -72.04 -25.11 61.66 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 116.413 -0.358 . . . . 10.0 111.351 -179.317 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -79.46 -7.92 58.76 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.464 -0.334 . . . . 10.0 111.259 179.791 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 15.4 mmm180 -79.73 -11.54 59.84 Favored 'General case' 0 C--N 1.327 -0.383 0 C-N-CA 121.085 -0.246 . . . . 10.0 111.011 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 1.5 pt-20 -94.05 -2.48 52.84 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-O 120.935 0.397 . . . . 10.0 111.143 -179.709 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 21' ' ' CYS . . . . . 1.657 ' SG ' ' HB ' ' B' ' 25' ' ' THR . 53.8 t -117.31 147.09 42.9 Favored 'General case' 0 CA--C 1.51 -0.563 0 CA-C-O 120.764 0.316 . . . . 0.0 111.008 178.592 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -81.5 171.08 15.12 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.406 -0.361 . . . . 10.0 110.306 179.09 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 31.5 tp -55.51 -44.45 76.63 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.372 -0.376 . . . . 10.0 111.552 -179.76 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -59.84 -48.58 81.12 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.818 0.342 . . . . 10.0 111.74 -179.86 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 25' ' ' THR . . . . . 1.657 ' HB ' ' SG ' ' B' ' 21' ' ' CYS . 0.2 OUTLIER -61.64 -42.69 99.25 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 121.009 0.433 . . . . 10.0 111.543 -179.542 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 26' ' ' LEU . . . . . 0.618 ' HG ' ' HG ' ' B' ' 21' ' ' CYS . 86.5 mt -65.43 -44.4 87.45 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.091 -0.504 . . . . 10.0 111.009 -179.678 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 27' ' ' GLU . . . . . 0.567 ' O ' ' HG3' ' B' ' 31' ' ' GLU . 6.7 mt-10 -64.56 -44.31 91.15 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.373 -0.376 . . . . 10.0 111.097 179.794 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 5.7 tt0 -56.99 -48.42 78.49 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.275 -0.421 . . . . 10.0 111.699 -178.928 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 29' ' ' MET . . . . . 0.44 ' SD ' HD22 ' C' ' 33' ' ' LEU . 2.2 ppp? -72.97 -30.7 64.03 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.561 -0.29 . . . . 10.0 111.351 -179.231 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 66.3 tp -62.08 -45.32 94.04 Favored 'General case' 0 C--O 1.234 0.251 0 CA-C-O 120.948 0.404 . . . . 10.0 110.447 179.649 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 31' ' ' GLU . . . . . 0.579 ' O ' HG11 ' B' ' 35' ' ' VAL . 24.7 mt-10 -66.55 -32.13 73.29 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.877 -0.602 . . . . 10.0 110.721 -179.74 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 32' ' ' LYS . . . . . 0.594 ' O ' HG21 ' B' ' 35' ' ' VAL . 48.7 mttt -70.92 -37.22 72.9 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.903 0.382 . . . . 10.0 110.758 179.436 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 33' ' ' LEU . . . . . 0.417 ' O ' HG22 ' B' ' 37' ' ' VAL . 48.5 tp -71.77 -38.55 70.33 Favored 'General case' 0 C--N 1.322 -0.591 0 C-N-CA 120.89 -0.324 . . . . 10.0 110.807 179.809 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 34' ' ' GLU . . . . . 0.541 ' HG3' ' N ' ' B' ' 35' ' ' VAL . 0.1 OUTLIER -63.79 -35.26 80.02 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.403 -0.362 . . . . 10.0 111.463 -178.891 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 35' ' ' VAL . . . . . 0.594 HG21 ' O ' ' B' ' 32' ' ' LYS . 13.6 m -69.08 -34.16 62.27 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.175 0 C-N-CA 120.339 -0.544 . . . . 10.0 110.368 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 96.0 t -68.56 -42.08 83.34 Favored 'Isoleucine or valine' 0 C--O 1.232 0.149 0 N-CA-C 109.626 -0.509 . . . . 10.0 109.626 178.835 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 37' ' ' VAL . . . . . 0.417 HG22 ' O ' ' B' ' 33' ' ' LEU . 71.4 t -63.98 -36.93 78.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 N-CA-C 108.891 -0.781 . . . . 10.0 108.891 178.221 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -66.13 -37.48 85.81 Favored 'General case' 0 C--O 1.236 0.346 0 CA-C-N 115.445 -0.798 . . . . 10.0 109.825 178.317 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 39' ' ' GLU . . . . . 0.427 ' HG3' ' O ' ' B' ' 35' ' ' VAL . 89.0 mt-10 -63.85 -47.3 81.29 Favored 'General case' 0 CA--C 1.521 -0.155 0 CA-C-N 115.98 -0.555 . . . . 10.0 109.863 179.026 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 40' ' ' ARG . . . . . 0.45 HH22 ' HA ' ' C' ' 22' ' ' THR . 36.5 mmm-85 -62.79 -42.61 99.78 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.886 -0.597 . . . . 10.0 110.135 178.765 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 41' ' ' ARG . . . . . . . . . . . . . 52.7 mtt180 -56.0 -41.92 75.6 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.197 -0.456 . . . . 10.0 110.256 179.135 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 8.4 tp10 -66.39 -41.22 89.67 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.787 -0.642 . . . . 10.0 110.794 -179.809 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 27.3 mt-10 -66.37 -47.28 73.89 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.283 -0.417 . . . . 10.0 111.189 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -68.22 -31.92 71.76 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 113.228 0.825 . . . . 10.0 113.228 -178.609 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 45' ' ' SER . . . . . . . . . . . . . 10.2 p -75.76 -38.71 58.14 Favored 'General case' 0 C--N 1.324 -0.503 0 C-N-CA 120.668 -0.413 . . . . 10.0 111.073 -179.599 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.435 0 CA-C-O 121.027 0.441 . . . . 10.0 111.342 -179.931 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' C' C ' 3' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.235 0.304 0 CA-C-O 121.043 0.449 . . . . 10.0 111.058 . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 4' ' ' ALA . . . . . . . . . . . . . . . -61.98 -36.81 82.58 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.642 -0.708 . . . . 10.0 112.206 -179.171 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 5' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -74.01 -15.03 61.1 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.342 -0.39 . . . . 10.0 111.403 -179.265 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 6' ' ' LYS . . . . . . . . . . . . . 21.6 tptm -82.23 -49.57 9.94 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.712 0.292 . . . . 10.0 111.267 -179.267 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 7' ' ' ILE . . . . . . . . . . . . . 10.3 pt -65.24 -27.17 41.41 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 116.503 -0.317 . . . . 10.0 111.658 -179.236 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 8' ' ' LEU . . . . . . . . . . . . . 3.1 mp -78.81 -7.0 57.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.237 -0.438 . . . . 10.0 111.698 -179.433 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 9' ' ' ASN . . . . . . . . . . . . . 17.3 t-20 -88.38 -10.56 48.94 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.235 0.541 . . . . 10.0 110.272 179.911 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 10' ' ' ASN . . . . . . . . . . . . . 4.7 m120 -101.71 125.41 48.37 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.888 -0.596 . . . . 10.0 109.938 -179.711 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 11' ' ' ILE . . . . . . . . . . . . . 9.8 tp -61.35 -28.07 43.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-N 116.039 -0.528 . . . . 10.0 111.677 -179.174 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 12' ' ' ARG . . . . . . . . . . . . . 38.0 mmt180 -64.68 -55.27 21.1 Favored 'General case' 0 C--O 1.233 0.22 0 CA-C-O 120.725 0.298 . . . . 10.0 111.21 -179.915 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 13' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -70.96 -34.21 71.21 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.446 -0.343 . . . . 10.0 111.704 -179.543 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 14' ' ' LEU . . . . . . . . . . . . . 13.3 tp -58.36 -50.94 71.85 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.096 -0.502 . . . . 10.0 110.779 -179.63 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 15' ' ' ARG . . . . . 0.403 HH11 ' HD2' ' C' ' 15' ' ' ARG . 44.4 ttm180 -68.26 -24.78 64.93 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.886 -0.597 . . . . 10.0 110.715 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 16' ' ' ALA . . . . . . . . . . . . . . . -75.12 -45.74 39.07 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.322 -0.399 . . . . 10.0 111.467 -179.8 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 17' ' ' GLN . . . . . . . . . . . . . 34.5 mt-30 -72.42 -28.09 62.75 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.789 0.328 . . . . 10.0 111.036 -179.881 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 18' ' ' ALA . . . . . . . . . . . . . . . -70.48 -7.67 45.2 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.871 0.367 . . . . 10.0 111.562 -179.89 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 19' ' ' ARG . . . . . . . . . . . . . 48.6 ttm-85 -87.27 -10.82 51.39 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.967 0.413 . . . . 10.0 110.424 179.877 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 20' ' ' GLU . . . . . . . . . . . . . 84.8 mt-10 -78.64 -38.69 39.07 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.049 -0.523 . . . . 10.0 111.011 -179.646 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 21' ' ' CYS . . . . . . . . . . . . . 72.2 m -103.65 164.2 11.82 Favored 'General case' 0 CA--C 1.51 -0.562 0 CA-C-O 121.838 0.828 . . . . 0.0 111.04 -179.647 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 22' ' ' THR . . . . . 0.45 ' HA ' HH22 ' B' ' 40' ' ' ARG . 0.9 OUTLIER -90.05 170.39 10.38 Favored 'General case' 0 N--CA 1.446 -0.627 0 CA-C-N 115.055 -0.975 . . . . 10.0 110.541 179.175 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 49.5 tp -59.36 -30.39 68.36 Favored 'General case' 0 C--N 1.333 -0.125 0 N-CA-C 109.801 -0.444 . . . . 10.0 109.801 179.447 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 24' ' ' GLU . . . . . . . . . . . . . 4.3 tp10 -54.41 -56.17 21.34 Favored 'General case' 0 CA--C 1.532 0.283 0 CA-C-N 115.517 -0.765 . . . . 10.0 110.578 178.72 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 25' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -69.6 -39.32 77.31 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.289 -0.414 . . . . 10.0 111.379 -179.71 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 26' ' ' LEU . . . . . . . . . . . . . 98.8 mt -61.1 -43.04 99.5 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.14 -0.482 . . . . 10.0 111.524 -179.455 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 27' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -65.68 -44.28 86.71 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.516 -0.311 . . . . 10.0 111.669 -179.466 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 28' ' ' GLU . . . . . . . . . . . . . 19.8 tt0 -74.47 -8.88 57.77 Favored 'General case' 0 CA--C 1.536 0.431 0 N-CA-C 111.984 0.365 . . . . 10.0 111.984 -178.443 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 29' ' ' MET . . . . . . . . . . . . . 14.7 ptp -106.04 -27.01 11.4 Favored 'General case' 0 C--N 1.328 -0.337 0 O-C-N 121.863 -0.523 . . . . 10.0 110.273 178.591 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 30' ' ' LEU . . . . . . . . . . . . . 37.9 tp -63.05 -40.3 97.31 Favored 'General case' 0 C--O 1.234 0.239 0 CA-C-O 121.117 0.484 . . . . 10.0 109.869 179.01 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 31' ' ' GLU . . . . . 0.517 ' HA ' ' HG2' ' C' ' 34' ' ' GLU . 11.8 pt-20 -64.97 -29.8 70.75 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.437 -0.802 . . . . 10.0 111.163 -179.933 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 32' ' ' LYS . . . . . 0.441 ' O ' HG22 ' C' ' 36' ' ' VAL . 22.3 mmtp -69.22 -34.01 74.19 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.05 -0.523 . . . . 10.0 110.504 -179.681 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 33' ' ' LEU . . . . . 0.44 HD22 ' SD ' ' B' ' 29' ' ' MET . 63.7 tp -83.1 -45.36 14.07 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 112.165 0.432 . . . . 10.0 112.165 -178.933 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 34' ' ' GLU . . . . . 0.517 ' HG2' ' HA ' ' C' ' 31' ' ' GLU . 7.7 pt-20 -60.01 -33.59 72.2 Favored 'General case' 0 C--O 1.234 0.257 0 C-N-CA 120.819 -0.352 . . . . 10.0 111.701 -178.54 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 35' ' ' VAL . . . . . 0.602 ' O ' ' HG3' ' C' ' 39' ' ' GLU . 9.9 p -72.54 -40.09 62.54 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.459 0 C-N-CA 120.646 -0.422 . . . . 10.0 110.7 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 36' ' ' VAL . . . . . 0.441 HG22 ' O ' ' C' ' 32' ' ' LYS . 40.8 t -61.97 -42.44 94.8 Favored 'Isoleucine or valine' 0 C--O 1.233 0.195 0 CA-C-O 120.962 0.411 . . . . 10.0 110.423 -179.83 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 37' ' ' VAL . . . . . 0.419 HG22 ' O ' ' C' ' 33' ' ' LEU . 46.2 t -64.01 -37.99 81.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 N-CA-C 109.654 -0.499 . . . . 10.0 109.654 179.121 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 38' ' ' ASN . . . . . 0.455 ' O ' ' HB2' ' C' ' 41' ' ' ARG . 1.7 m-20 -65.56 -32.2 73.66 Favored 'General case' 0 C--O 1.233 0.217 0 CA-C-N 115.708 -0.678 . . . . 10.0 110.516 179.356 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 39' ' ' GLU . . . . . 0.602 ' HG3' ' O ' ' C' ' 35' ' ' VAL . 34.9 mt-10 -67.61 -44.71 77.4 Favored 'General case' 0 C--O 1.234 0.275 0 N-CA-C 109.243 -0.651 . . . . 10.0 109.243 178.469 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 40' ' ' ARG . . . . . . . . . . . . . 8.7 mmm180 -64.04 -31.27 72.4 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.166 -0.925 . . . . 10.0 110.473 179.534 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 41' ' ' ARG . . . . . 0.455 ' HB2' ' O ' ' C' ' 38' ' ' ASN . 7.1 mmm180 -55.85 -55.22 35.15 Favored 'General case' 0 C--O 1.234 0.266 0 CA-C-N 115.685 -0.689 . . . . 10.0 110.466 178.925 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 42' ' ' GLU . . . . . . . . . . . . . 91.0 mt-10 -66.8 -38.86 87.33 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.429 -0.805 . . . . 10.0 111.215 -179.193 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 43' ' ' GLU . . . . . . . . . . . . . 28.7 mt-10 -59.17 -43.81 92.14 Favored 'General case' 0 N--CA 1.463 0.213 0 CA-C-O 121.037 0.446 . . . . 10.0 110.908 179.321 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 44' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -72.2 -40.82 67.58 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.747 -0.66 . . . . 10.0 111.806 -179.048 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 45' ' ' SER . . . . . . . . . . . . . 12.0 m -71.01 -30.26 66.43 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 111.787 0.291 . . . . 10.0 111.787 -178.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 46' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.331 -0.224 0 N-CA-C 111.68 0.252 . . . . 10.0 111.68 -179.539 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.481 1.119 0 CA-C-O 120.702 0.286 . . . . 10.0 110.313 . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -88.59 152.88 21.55 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.441 -0.345 . . . . 10.0 110.338 179.891 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 15.9 tttt -61.13 -30.15 70.2 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.919 -0.582 . . . . 10.0 109.924 178.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -72.47 -33.56 67.09 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.694 -0.685 . . . . 10.0 111.596 179.521 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 65.3 m-20 -60.69 -53.45 57.24 Favored 'General case' 0 N--CA 1.465 0.278 0 CA-C-N 116.314 -0.403 . . . . 10.0 110.933 -178.807 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 24.7 m-85 -67.91 -33.69 75.19 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.14 -0.482 . . . . 10.0 110.33 -179.833 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 15.4 tp -60.08 -50.36 74.0 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.249 -0.432 . . . . 10.0 110.424 179.508 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -62.24 -38.77 90.51 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.986 0.422 . . . . 10.0 110.706 179.902 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.79 -40.59 95.74 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.87 -0.604 . . . . 10.0 110.766 179.625 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 84.6 mt -84.67 -12.9 52.97 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.205 -0.452 . . . . 10.0 111.512 -179.073 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.528 ' HA ' ' NE ' ' A' ' 50' ' ' ARG . 42.5 mtt180 -77.89 -14.36 59.58 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.934 0.397 . . . . 10.0 110.789 179.781 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 93.9 mtm-85 -83.92 -8.27 59.22 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.366 0.603 . . . . 10.0 109.943 179.092 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 56.7 m -106.51 130.33 54.31 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.58 -0.736 . . . . 10.0 110.047 179.646 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 10.6 mm-40 -119.66 -159.52 0.78 Allowed 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.69 0.281 . . . . 10.0 110.418 -179.437 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' THR . . . . . 0.417 ' O ' ' HB ' ' A' ' 21' ' ' ILE . 2.1 m 71.29 -11.12 0.72 Allowed 'General case' 0 N--CA 1.468 0.463 0 N-CA-C 113.146 0.795 . . . . 10.0 113.146 178.324 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . 0.417 ' HB ' ' O ' ' A' ' 20' ' ' THR . 65.2 mt 72.26 -58.96 0.28 Allowed 'Isoleucine or valine' 0 N--CA 1.47 0.556 0 C-N-CA 122.713 0.405 . . . . 10.0 111.039 -179.824 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 17.9 t70 -56.95 -44.18 82.31 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.123 -0.49 . . . . 10.0 110.646 179.652 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 4.6 m -58.82 -38.98 79.87 Favored 'General case' 0 CA--C 1.532 0.278 0 CA-C-N 115.871 -0.604 . . . . 10.0 110.765 179.303 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.476 ' O ' HG11 ' A' ' 27' ' ' VAL . 18.5 tp -66.22 -44.41 83.9 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.249 -0.432 . . . . 10.0 110.02 179.21 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . 0.418 ' O ' ' HB2' ' A' ' 29' ' ' GLU . 6.8 tp10 -60.27 -30.59 69.55 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.321 0.581 . . . . 10.0 110.874 179.635 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 79.1 mtp180 -82.71 -35.7 26.51 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.928 -0.578 . . . . 10.0 111.946 -179.168 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.476 HG11 ' O ' ' A' ' 24' ' ' LEU . 7.2 p -73.46 -37.11 49.97 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 C-N-CA 120.643 -0.423 . . . . 10.0 110.979 -179.514 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . 0.425 HG12 ' O ' ' A' ' 24' ' ' LEU . 44.5 pt -73.04 -30.04 30.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-O 121.049 0.452 . . . . 10.0 110.018 179.333 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . 0.418 ' HB2' ' O ' ' A' ' 25' ' ' GLU . 22.8 tp10 -62.69 -52.47 63.17 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.779 -0.646 . . . . 10.0 110.302 179.656 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 27.3 mttp -65.49 -39.76 92.3 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.042 -0.526 . . . . 10.0 110.899 179.6 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . 0.487 ' O ' ' HG ' ' A' ' 35' ' ' LEU . 2.2 t30 -58.63 -37.07 75.12 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.739 -0.664 . . . . 10.0 111.772 -179.053 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 41.2 mtmt -64.02 -29.43 70.58 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.694 -0.23 . . . . 10.0 111.6 -179.491 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 8.8 m-85 -79.9 -18.23 51.1 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.06 0.457 . . . . 10.0 110.794 -179.48 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 74.8 mt-10 -97.09 -28.52 14.09 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.893 -0.594 . . . . 10.0 112.562 -178.534 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.487 ' HG ' ' O ' ' A' ' 31' ' ' ASN . 90.0 mt -63.27 159.97 16.77 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.204 0.526 . . . . 10.0 112.073 -179.13 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' SER . . . . . 0.5 ' O ' ' HB2' ' A' ' 37' ' ' ASP . 13.2 m -87.43 1.53 53.15 Favored 'General case' 0 N--CA 1.453 -0.314 0 CA-C-N 115.718 -0.674 . . . . 10.0 111.153 -179.407 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . 0.5 ' HB2' ' O ' ' A' ' 36' ' ' SER . 98.5 m-20 80.8 -26.95 0.14 Allowed 'General case' 0 C--O 1.254 1.325 0 C-N-CA 125.161 1.384 . . . . 0.0 111.041 177.339 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . 0.464 ' OD1' ' HB2' ' A' ' 36' ' ' SER . 4.1 p-10 -74.38 -22.85 58.99 Favored 'General case' 0 C--N 1.322 -0.589 0 O-C-N 121.061 -1.024 . . . . 10.0 111.597 -179.353 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -105.78 -2.7 22.88 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.108 0.48 . . . . 10.0 110.386 -179.942 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 46.3 tp -57.65 -33.36 68.22 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.419 -0.81 . . . . 10.0 111.21 -179.468 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -60.69 -40.59 92.77 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.118 0.485 . . . . 10.0 111.236 179.892 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 3.2 t -72.58 -42.03 63.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.079 -0.51 . . . . 10.0 110.16 -179.818 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 63.1 t80 -62.75 -43.77 97.94 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.492 -0.777 . . . . 10.0 110.685 179.777 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -60.77 -41.8 96.2 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.973 -0.558 . . . . 10.0 110.978 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 23.2 m -61.51 -42.06 98.24 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.983 -0.553 . . . . 10.0 111.465 -179.245 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -71.75 -43.38 65.9 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.243 -0.435 . . . . 10.0 110.922 -179.863 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -60.86 -43.81 97.87 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.203 -0.453 . . . . 10.0 111.235 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 13.7 t70 -59.66 -46.21 89.71 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.702 -0.681 . . . . 10.0 110.643 179.871 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 7.7 t60 -68.03 -35.94 79.1 Favored 'General case' 0 CA--C 1.532 0.282 0 CA-C-N 116.039 -0.528 . . . . 10.0 110.862 -179.762 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . 0.528 ' NE ' ' HA ' ' A' ' 16' ' ' ARG . 23.6 tpt180 -72.03 -41.13 67.86 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.415 -0.357 . . . . 10.0 111.337 -179.793 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 31.0 tp -60.86 -32.43 71.85 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.417 -0.356 . . . . 10.0 110.685 -179.743 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -60.89 -58.32 8.95 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.114 -0.494 . . . . 10.0 111.754 -179.836 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -67.02 -31.03 71.3 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.227 -0.442 . . . . 10.0 111.256 -179.009 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 9.2 tp -66.19 -43.82 85.72 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.31 -0.405 . . . . 10.0 110.492 -179.866 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 16.9 m -70.55 -32.75 70.3 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.986 0.422 . . . . 10.0 110.754 179.751 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 76.5 mmm -78.88 -5.87 54.69 Favored 'General case' 0 C--O 1.236 0.378 0 CA-C-N 115.965 -0.561 . . . . 10.0 111.703 -179.639 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 64.1 t30 59.37 36.54 23.36 Favored 'General case' 0 N--CA 1.463 0.21 0 CA-C-N 115.796 -0.638 . . . . 10.0 111.558 179.449 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 4.5 tppp? -164.54 130.31 2.85 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.328 -0.396 . . . . 10.0 109.971 179.613 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 8.9 mp -74.15 130.43 39.76 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-O 121.083 0.468 . . . . 10.0 111.261 -179.451 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 46.0 m-85 -131.5 132.04 43.91 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.85 -0.614 . . . . 10.0 109.638 179.716 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -64.99 -52.27 57.1 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 108.154 -1.054 . . . . 10.0 108.154 178.547 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 15.0 pttt -113.19 143.61 44.09 Favored 'General case' 0 C--N 1.32 -0.705 0 N-CA-C 107.98 -1.118 . . . . 10.0 107.98 177.85 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 35.8 mm -102.04 117.56 61.15 Favored Pre-proline 0 C--N 1.32 -0.678 0 C-N-CA 120.921 -0.312 . . . . 10.0 110.372 -179.092 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 34.8 Cg_exo -59.83 145.28 98.64 Favored 'Trans proline' 0 CA--C 1.53 0.316 0 C-N-CA 122.958 2.439 . . . . 10.0 112.803 179.555 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -50.12 -49.58 51.33 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 113.587 0.958 . . . . 10.0 113.587 -178.59 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 97.7 p -72.38 -9.23 58.25 Favored 'General case' 0 C--O 1.256 1.403 0 O-C-N 121.412 -0.805 . . . . 0.0 110.945 -177.152 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 38.8 t -82.48 -27.41 8.72 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.198 0 CA-C-N 119.355 0.98 . . . . 10.0 111.135 -178.486 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' TRP . . . . . . . . . . . . . 96.8 m95 -60.17 -20.88 60.58 Favored 'General case' 0 N--CA 1.465 0.292 0 CA-C-O 121.083 0.468 . . . . 10.0 110.85 179.819 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 5.6 tppp? -63.3 -27.28 69.22 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.731 -0.668 . . . . 10.0 111.541 179.884 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 36.5 m-85 -88.38 6.79 35.69 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.989 0.423 . . . . 10.0 111.618 -178.404 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . 0.432 HD11 ' N ' ' A' ' 71' ' ' ILE . 1.8 mp -100.14 130.09 49.86 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 CA-C-N 116.273 -0.421 . . . . 10.0 109.934 179.725 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 64.7 mtp180 . . . . . 0 C--O 1.249 1.075 0 CA-C-O 118.773 -0.632 . . . . 10.0 110.406 -178.977 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.297 0 CA-C-O 120.81 0.338 . . . . 10.0 110.344 . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . -72.27 -43.56 64.1 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.951 -0.568 . . . . 10.0 110.636 -179.923 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 5' ' ' LEU . . . . . 0.417 ' HG ' ' SD ' ' C' ' 29' ' ' MET . 10.3 mp -70.8 -10.96 60.62 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.715 -0.675 . . . . 10.0 110.756 -179.617 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 33.8 ttpt -74.09 -43.41 57.76 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 121.109 0.481 . . . . 10.0 110.753 179.816 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 7' ' ' ILE . . . . . . . . . . . . . 16.5 pt -91.46 -17.63 7.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 116.104 -0.498 . . . . 10.0 111.373 -179.271 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -74.53 -15.18 60.87 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.017 -0.538 . . . . 10.0 111.434 -179.815 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 9' ' ' ASN . . . . . . . . . . . . . 45.7 t30 -90.72 12.5 18.91 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 111.887 0.329 . . . . 10.0 111.887 -179.169 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 10' ' ' ASN . . . . . 0.403 ' OD1' ' HB2' ' B' ' 12' ' ' ARG . 12.3 t-20 -140.42 124.39 17.41 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.041 0.448 . . . . 10.0 110.326 179.284 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 51.4 mt -63.52 -36.54 76.72 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 CA-C-N 115.664 -0.698 . . . . 10.0 112.464 -179.065 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 12' ' ' ARG . . . . . 0.403 ' HB2' ' OD1' ' B' ' 10' ' ' ASN . 93.6 mtt180 -59.32 -51.64 69.08 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 111.812 0.301 . . . . 10.0 111.812 -178.878 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 13' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -68.04 -41.31 82.26 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.944 0.402 . . . . 10.0 110.597 179.408 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 12.3 tp -57.39 -43.61 83.79 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.765 -0.652 . . . . 10.0 111.163 -179.338 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 15' ' ' ARG . . . . . 0.452 ' O ' ' HG2' ' B' ' 19' ' ' ARG . 37.4 mtt85 -59.53 -36.11 75.51 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.366 -0.379 . . . . 10.0 111.09 179.674 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 16' ' ' ALA . . . . . . . . . . . . . . . -76.04 -47.61 24.09 Favored 'General case' 0 C--N 1.331 -0.235 0 N-CA-C 112.315 0.487 . . . . 10.0 112.315 -178.839 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 17' ' ' GLN . . . . . . . . . . . . . 1.6 mp0 -68.11 -27.6 66.6 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.774 0.321 . . . . 10.0 111.311 -179.183 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -73.05 -7.96 53.58 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.494 -0.321 . . . . 10.0 111.485 179.551 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 19' ' ' ARG . . . . . 0.452 ' HG2' ' O ' ' B' ' 15' ' ' ARG . 24.6 mmm180 -75.93 -19.07 59.07 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.487 -0.324 . . . . 10.0 110.781 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 1.8 pt-20 -81.19 -9.74 59.74 Favored 'General case' 0 C--N 1.331 -0.234 0 C-N-CA 120.665 -0.414 . . . . 10.0 110.955 -179.617 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 21' ' ' CYS . . . . . 0.559 ' SG ' ' CD2' ' B' ' 26' ' ' LEU . 32.0 p -117.44 168.07 10.71 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-O 121.145 0.498 . . . . 0.0 111.012 179.163 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 13.5 p -98.4 176.37 5.71 Favored 'General case' 0 C--O 1.236 0.379 0 CA-C-N 115.839 -0.619 . . . . 10.0 110.622 179.303 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 23' ' ' LEU . . . . . 0.413 HD11 ' HB3' ' C' ' 40' ' ' ARG . 39.5 tp -60.13 -39.54 86.64 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 121.026 0.441 . . . . 10.0 109.818 179.455 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 24' ' ' GLU . . . . . 0.418 ' O ' ' HB2' ' B' ' 28' ' ' GLU . 41.8 tt0 -60.88 -45.79 93.17 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.576 -0.738 . . . . 10.0 111.092 179.824 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 25' ' ' THR . . . . . 0.482 ' HB ' ' HB2' ' B' ' 21' ' ' CYS . 0.2 OUTLIER -63.82 -39.38 94.1 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.774 0.321 . . . . 10.0 110.404 179.499 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 26' ' ' LEU . . . . . 0.559 ' CD2' ' SG ' ' B' ' 21' ' ' CYS . 46.1 mt -64.62 -47.98 76.57 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.153 -0.476 . . . . 10.0 110.348 179.691 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 27' ' ' GLU . . . . . 0.528 ' OE2' ' HD3' ' C' ' 41' ' ' ARG . 11.2 mt-10 -63.78 -38.69 92.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.912 0.386 . . . . 10.0 110.164 179.085 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 28' ' ' GLU . . . . . 0.461 ' O ' ' HG3' ' B' ' 32' ' ' LYS . 0.0 OUTLIER -59.52 -48.37 81.93 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.742 -0.663 . . . . 10.0 111.295 -179.927 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 29' ' ' MET . . . . . 0.485 ' HG3' ' O ' ' B' ' 26' ' ' LEU . 3.4 ppp? -75.69 -28.16 58.53 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 111.94 0.348 . . . . 10.0 111.94 -178.925 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 55.0 tp -60.34 -45.6 92.87 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.731 0.301 . . . . 10.0 110.627 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 31' ' ' GLU . . . . . 0.448 ' HG3' ' O ' ' B' ' 27' ' ' GLU . 19.5 mt-10 -64.26 -35.84 82.15 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.211 -0.449 . . . . 10.0 110.681 -179.669 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 32' ' ' LYS . . . . . 0.461 ' HG3' ' O ' ' B' ' 28' ' ' GLU . 54.1 mttm -65.96 -45.13 82.86 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.06 -0.518 . . . . 10.0 111.052 -179.691 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 33' ' ' LEU . . . . . 0.492 ' O ' HG22 ' B' ' 37' ' ' VAL . 20.7 tp -71.4 -36.1 71.26 Favored 'General case' 0 C--N 1.322 -0.596 0 C-N-CA 120.565 -0.454 . . . . 10.0 110.11 179.665 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -57.94 -50.55 72.99 Favored 'General case' 0 C--O 1.234 0.241 0 CA-C-N 116.038 -0.528 . . . . 10.0 110.917 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 35' ' ' VAL . . . . . . . . . . . . . 35.2 m -62.8 -35.04 69.14 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.23 0 C-N-CA 121.103 -0.239 . . . . 10.0 111.126 -179.892 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 71.2 t -67.1 -42.82 88.78 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-O 120.854 0.359 . . . . 10.0 110.177 179.443 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 37' ' ' VAL . . . . . 0.492 HG22 ' O ' ' B' ' 33' ' ' LEU . 88.5 t -64.31 -40.56 89.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 N-CA-C 109.671 -0.492 . . . . 10.0 109.671 178.918 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 64.1 t30 -63.73 -43.6 96.04 Favored 'General case' 0 C--N 1.33 -0.269 0 N-CA-C 109.452 -0.573 . . . . 10.0 109.452 178.726 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 39' ' ' GLU . . . . . 0.437 ' CD ' HH21 ' C' ' 15' ' ' ARG . 41.8 mt-10 -60.61 -39.39 88.0 Favored 'General case' 0 C--O 1.233 0.229 0 CA-C-N 115.772 -0.649 . . . . 10.0 110.547 178.88 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 10.0 mmm-85 -70.06 -41.47 74.14 Favored 'General case' 0 C--N 1.33 -0.255 0 N-CA-C 109.843 -0.428 . . . . 10.0 109.843 178.6 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 41' ' ' ARG . . . . . . . . . . . . . 93.7 mtt180 -58.6 -42.81 88.98 Favored 'General case' 0 C--N 1.331 -0.213 0 N-CA-C 109.248 -0.649 . . . . 10.0 109.248 178.533 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 8.0 tp10 -55.76 -48.38 75.37 Favored 'General case' 0 CA--C 1.527 0.073 0 CA-C-N 115.611 -0.722 . . . . 10.0 110.155 178.913 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -63.7 -35.15 79.62 Favored 'General case' 0 C--O 1.234 0.288 0 CA-C-N 116.221 -0.445 . . . . 10.0 110.794 179.743 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -68.52 -46.56 69.24 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.668 -0.697 . . . . 10.0 111.083 179.913 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 45' ' ' SER . . . . . . . . . . . . . 2.8 p -74.58 -19.93 60.13 Favored 'General case' 0 C--N 1.331 -0.203 0 N-CA-C 111.857 0.317 . . . . 10.0 111.857 -179.389 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.489 0 CA-C-O 121.039 0.447 . . . . 10.0 111.266 179.789 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' C' C ' 3' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.468 0.429 0 N-CA-C 112.255 0.465 . . . . 10.0 112.255 . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 4' ' ' ALA . . . . . . . . . . . . . . . -77.64 -12.16 59.94 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 120.925 0.393 . . . . 10.0 111.697 -179.001 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 5' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -81.9 -34.56 29.91 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 120.804 0.335 . . . . 10.0 111.362 -179.277 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 6' ' ' LYS . . . . . . . . . . . . . 5.8 tptm -62.3 -38.75 90.58 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.197 -0.456 . . . . 10.0 111.985 -179.024 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 7' ' ' ILE . . . . . . . . . . . . . 41.5 pt -80.13 -22.17 11.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-N 116.414 -0.357 . . . . 10.0 111.414 -178.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 8' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -78.88 -21.2 47.82 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.074 0.464 . . . . 10.0 110.497 -179.633 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 9' ' ' ASN . . . . . . . . . . . . . 14.1 t-20 -89.53 5.15 46.78 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.636 0.731 . . . . 10.0 109.812 179.214 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 10' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -116.01 106.71 14.08 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.841 -0.618 . . . . 10.0 110.564 -179.763 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 11' ' ' ILE . . . . . . . . . . . . . 2.5 tp -56.17 -29.3 27.14 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.37 0 CA-C-N 116.28 -0.418 . . . . 10.0 111.138 179.865 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 12' ' ' ARG . . . . . . . . . . . . . 29.8 mmt180 -63.12 -55.77 22.5 Favored 'General case' 0 C--N 1.333 -0.123 0 CA-C-O 121.038 0.447 . . . . 10.0 110.722 179.891 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 13' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -68.51 -34.43 75.88 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.832 -0.622 . . . . 10.0 110.697 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 14' ' ' LEU . . . . . . . . . . . . . 12.9 tp -62.76 -45.9 90.55 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.748 -0.66 . . . . 10.0 110.808 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 15' ' ' ARG . . . . . 0.437 HH21 ' CD ' ' B' ' 39' ' ' GLU . 72.3 mtt180 -66.4 -14.48 62.21 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.444 -0.343 . . . . 10.0 111.379 179.841 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 16' ' ' ALA . . . . . . . . . . . . . . . -90.26 -54.74 3.88 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.648 0.261 . . . . 10.0 111.359 -179.888 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 17' ' ' GLN . . . . . . . . . . . . . 39.6 tt0 -71.36 -16.86 62.44 Favored 'General case' 0 CA--C 1.532 0.273 0 N-CA-C 111.814 0.301 . . . . 10.0 111.814 -178.582 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 18' ' ' ALA . . . . . . . . . . . . . . . -68.11 -12.63 61.22 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.209 0.528 . . . . 10.0 110.939 179.542 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 19' ' ' ARG . . . . . . . . . . . . . 29.6 mtt180 -95.8 2.99 54.12 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.157 -0.474 . . . . 10.0 110.305 179.834 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 20' ' ' GLU . . . . . . . . . . . . . 23.1 tt0 -86.21 -5.69 59.14 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.794 -0.639 . . . . 10.0 110.14 179.855 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 21' ' ' CYS . . . . . . . . . . . . . 73.0 m -142.26 169.51 17.45 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 121.324 0.583 . . . . 0.0 111.014 179.653 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 22' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -85.77 172.15 11.03 Favored 'General case' 0 N--CA 1.451 -0.385 0 CA-C-N 115.9 -0.591 . . . . 10.0 111.01 179.723 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 27.2 tp -61.52 -39.9 92.66 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.16 -0.473 . . . . 10.0 111.772 -179.422 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 24' ' ' GLU . . . . . . . . . . . . . 18.7 tt0 -54.76 -51.33 66.02 Favored 'General case' 0 N--CA 1.463 0.195 0 CA-C-O 120.679 0.276 . . . . 10.0 111.531 -179.197 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 25' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -60.95 -45.14 95.89 Favored 'General case' 0 N--CA 1.452 -0.355 0 CA-C-N 116.416 -0.356 . . . . 10.0 110.946 -179.734 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 26' ' ' LEU . . . . . . . . . . . . . 95.2 mt -62.81 -39.37 94.06 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.163 -0.471 . . . . 10.0 111.172 -179.738 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 27' ' ' GLU . . . . . . . . . . . . . 18.1 tt0 -71.67 -50.39 30.94 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.938 -0.574 . . . . 10.0 111.571 -179.263 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 28' ' ' GLU . . . . . . . . . . . . . 27.6 tt0 -57.16 -41.92 80.09 Favored 'General case' 0 N--CA 1.464 0.239 0 CA-C-O 120.708 0.29 . . . . 10.0 111.172 -179.225 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 29' ' ' MET . . . . . 0.417 ' SD ' ' HG ' ' B' ' 5' ' ' LEU . 19.6 ptp -76.29 -26.87 56.32 Favored 'General case' 0 C--N 1.329 -0.302 0 C-N-CA 120.681 -0.407 . . . . 10.0 111.269 -179.565 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 30' ' ' LEU . . . . . . . . . . . . . 12.8 tp -65.3 -42.67 92.84 Favored 'General case' 0 C--N 1.331 -0.208 0 N-CA-C 110.015 -0.365 . . . . 10.0 110.015 179.132 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 31' ' ' GLU . . . . . . . . . . . . . 27.2 mt-10 -60.99 -36.63 79.96 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.665 -0.698 . . . . 10.0 110.048 179.467 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 32' ' ' LYS . . . . . 0.58 ' O ' HG22 ' C' ' 36' ' ' VAL . 34.3 mttt -71.99 -22.57 61.41 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.845 -0.616 . . . . 10.0 110.761 179.84 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 33' ' ' LEU . . . . . 0.424 ' O ' HG22 ' C' ' 37' ' ' VAL . 30.5 tp -83.54 -45.42 13.58 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.45 -0.341 . . . . 10.0 110.507 179.45 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 34' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -61.18 -33.22 73.11 Favored 'General case' 0 C--N 1.333 -0.125 0 CA-C-N 116.243 -0.435 . . . . 10.0 111.39 -178.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 35' ' ' VAL . . . . . . . . . . . . . 29.8 m -73.16 -32.61 39.19 Favored 'Isoleucine or valine' 0 C--O 1.228 -0.052 0 C-N-CA 120.501 -0.48 . . . . 10.0 110.786 179.507 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 36' ' ' VAL . . . . . 0.58 HG22 ' O ' ' C' ' 32' ' ' LYS . 71.2 t -69.11 -42.79 81.95 Favored 'Isoleucine or valine' 0 C--O 1.234 0.266 0 N-CA-C 109.144 -0.687 . . . . 10.0 109.144 179.11 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 37' ' ' VAL . . . . . 0.424 HG22 ' O ' ' C' ' 33' ' ' LEU . 38.3 t -66.3 -36.86 78.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 115.542 -0.754 . . . . 10.0 109.046 178.393 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 38' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -66.52 -43.28 85.66 Favored 'General case' 0 CA--C 1.521 -0.144 0 CA-C-N 115.645 -0.707 . . . . 10.0 110.277 179.261 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 39' ' ' GLU . . . . . . . . . . . . . 35.8 mt-10 -55.6 -46.55 77.3 Favored 'General case' 0 CA--C 1.518 -0.255 0 N-CA-C 108.981 -0.748 . . . . 10.0 108.981 178.377 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 40' ' ' ARG . . . . . 0.413 ' HB3' HD11 ' B' ' 23' ' ' LEU . 0.0 OUTLIER -60.94 -44.75 96.8 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 114.881 -1.054 . . . . 10.0 110.169 178.931 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' C' C ' 41' ' ' ARG . . . . . 0.528 ' HD3' ' OE2' ' B' ' 27' ' ' GLU . 7.5 mmm180 -58.71 -52.54 65.27 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.808 -0.633 . . . . 10.0 111.316 179.879 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 42' ' ' GLU . . . . . . . . . . . . . 31.0 mt-10 -59.51 -47.03 87.09 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.652 -0.703 . . . . 10.0 111.182 -179.595 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 43' ' ' GLU . . . . . . . . . . . . . 54.7 mm-40 -63.02 -43.9 97.45 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.181 -0.463 . . . . 10.0 111.145 -179.529 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 44' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -64.66 -39.96 94.6 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.144 -0.48 . . . . 10.0 110.771 179.788 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 45' ' ' SER . . . . . . . . . . . . . 55.0 m -72.76 -15.02 61.66 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.166 -0.47 . . . . 10.0 111.707 -179.682 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 46' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.299 0 CA-C-O 120.968 0.413 . . . . 10.0 110.354 179.567 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 2.1 mp . . . . . 0 N--CA 1.48 1.037 0 N-CA-C 110.04 -0.355 . . . . 10.0 110.04 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -80.71 153.93 27.57 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.129 -0.487 . . . . 10.0 111.65 -179.367 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 80.5 tttt -58.87 -39.76 82.34 Favored 'General case' 0 C--O 1.236 0.355 0 CA-C-N 115.939 -0.573 . . . . 10.0 110.852 179.909 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -66.52 -30.77 71.17 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.712 -0.676 . . . . 10.0 111.726 -179.944 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 48.2 m-20 -65.73 -45.66 81.82 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.193 -0.458 . . . . 10.0 110.354 -179.821 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 62.1 m-85 -66.51 -40.08 89.02 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 109.518 -0.549 . . . . 10.0 109.518 178.756 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 58.6 tp -56.95 -46.16 82.29 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 114.993 -1.003 . . . . 10.0 111.276 179.901 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 87.6 mmm -63.82 -38.18 90.12 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.907 0.384 . . . . 10.0 110.922 -179.888 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.46 -26.39 66.36 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.152 -0.476 . . . . 10.0 110.662 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 91.0 mt -94.67 -8.99 36.28 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.11 -0.495 . . . . 10.0 111.509 -179.643 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -69.1 -24.29 64.1 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.952 0.406 . . . . 10.0 110.558 -179.708 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 61.7 mtm-85 -76.7 -27.26 55.42 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.03 -0.532 . . . . 10.0 110.233 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 8.5 m -82.88 122.4 28.19 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.788 -0.642 . . . . 10.0 111.058 -179.256 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . 0.413 ' C ' ' H ' ' A' ' 21' ' ' ILE . 0.0 OUTLIER -125.52 -165.76 1.46 Allowed 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.727 -0.67 . . . . 10.0 109.225 179.35 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 5.4 m 73.54 -18.39 0.38 Allowed 'General case' 0 CA--C 1.541 0.61 0 N-CA-C 112.385 0.513 . . . . 10.0 112.385 179.062 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . 0.413 ' H ' ' C ' ' A' ' 19' ' ' GLN . 81.5 mt 74.45 -48.85 0.19 Allowed 'Isoleucine or valine' 0 N--CA 1.47 0.575 0 C-N-CA 123.32 0.648 . . . . 10.0 111.187 -179.533 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 20.1 t70 -52.45 -49.67 64.16 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.705 -0.68 . . . . 10.0 111.382 179.772 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -74.19 -26.43 60.28 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.449 -0.342 . . . . 10.0 111.416 179.77 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 49.6 tp -67.51 -38.55 84.44 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.208 -0.451 . . . . 10.0 110.748 -179.71 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 7.0 mt-10 -74.61 -7.4 53.05 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.465 -0.334 . . . . 10.0 111.28 179.847 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 5.0 mtt85 -91.18 -39.9 11.86 Favored 'General case' 0 C--N 1.328 -0.351 0 C-N-CA 121.044 -0.262 . . . . 10.0 111.194 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 9.3 p -67.53 -38.25 80.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 120.957 0.408 . . . . 10.0 110.302 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 46.8 pt -70.47 -27.43 31.38 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-O 121.136 0.493 . . . . 10.0 109.962 179.025 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 34.2 tp10 -69.68 -43.14 73.11 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.637 -0.71 . . . . 10.0 109.354 178.805 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 6.8 tttp -67.52 -48.56 66.67 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.654 -0.703 . . . . 10.0 110.557 179.518 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . 0.548 ' O ' ' HG ' ' A' ' 35' ' ' LEU . 0.9 OUTLIER -60.37 -28.81 68.49 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.435 -0.802 . . . . 10.0 111.385 -179.396 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 28.3 ttmt -53.5 -40.96 65.82 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.842 0.353 . . . . 10.0 111.601 179.825 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 34.9 m-85 -90.9 -23.53 20.47 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.81 0.338 . . . . 10.0 111.319 -179.157 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 21.9 mt-10 -78.03 -35.96 49.17 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.494 -0.321 . . . . 10.0 111.532 -179.253 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.548 ' HG ' ' O ' ' A' ' 31' ' ' ASN . 92.1 mt -66.53 165.01 15.36 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.928 0.394 . . . . 10.0 111.289 -179.136 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' SER . . . . . 0.418 ' O ' ' HB2' ' A' ' 37' ' ' ASP . 67.0 m -93.42 8.92 38.64 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.093 -0.503 . . . . 10.0 110.977 -179.84 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . 0.418 ' HB2' ' O ' ' A' ' 36' ' ' SER . 98.4 m-20 75.32 -14.29 0.78 Allowed 'General case' 0 C--O 1.261 1.663 0 C-N-CA 124.554 1.142 . . . . 0.0 111.064 177.136 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 2.2 p-10 -86.19 -30.16 22.64 Favored 'General case' 0 C--N 1.328 -0.347 0 O-C-N 119.77 -1.831 . . . . 10.0 110.959 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -93.98 -2.78 52.59 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.271 0.558 . . . . 10.0 110.122 -179.842 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 32.7 tp -60.35 -25.71 66.04 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.438 -0.801 . . . . 10.0 110.932 179.799 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -61.72 -54.51 41.59 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.973 -0.558 . . . . 10.0 111.397 -179.67 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 5.4 m -73.5 -28.8 25.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-O 120.827 0.346 . . . . 10.0 110.995 -179.493 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 81.5 t80 -66.89 -40.65 87.82 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.111 -0.495 . . . . 10.0 110.132 179.378 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -65.13 -40.02 93.87 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.032 -0.531 . . . . 10.0 110.33 179.224 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -61.18 -33.9 74.18 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.161 -0.472 . . . . 10.0 110.14 179.306 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -73.27 -46.22 51.22 Favored 'General case' 0 N--CA 1.454 -0.237 0 CA-C-N 116.043 -0.526 . . . . 10.0 110.38 179.516 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -61.83 -46.55 89.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.907 -0.588 . . . . 10.0 110.109 179.295 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -54.69 -51.47 65.41 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.537 -0.756 . . . . 10.0 110.077 178.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' HIS . . . . . 0.419 ' O ' ' HG2' ' A' ' 53' ' ' GLU . 2.9 t60 -62.03 -44.63 96.3 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.104 -0.953 . . . . 10.0 111.345 -179.027 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 25.2 tpt180 -67.26 -40.88 86.28 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.353 -0.385 . . . . 10.0 111.606 -179.15 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 53.8 tp -67.3 -38.55 85.16 Favored 'General case' 0 C--N 1.323 -0.559 0 C-N-CA 121.069 -0.252 . . . . 10.0 110.606 -179.789 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -60.27 -49.12 78.88 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.343 -0.39 . . . . 10.0 111.935 -179.657 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . 0.419 ' HG2' ' O ' ' A' ' 49' ' ' HIS . 10.4 pt-20 -68.99 -32.48 72.08 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 120.767 0.318 . . . . 10.0 110.854 -179.85 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 13.8 tp -71.86 -34.12 68.97 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.414 -0.357 . . . . 10.0 110.229 179.511 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 86.5 m -68.67 -36.11 78.11 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 121.233 0.54 . . . . 10.0 109.973 178.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 76.5 mmm -83.7 -5.84 59.29 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.718 -0.674 . . . . 10.0 110.29 179.023 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 6.3 t30 55.4 46.75 22.67 Favored 'General case' 0 C--O 1.234 0.258 0 CA-C-N 115.487 -0.779 . . . . 10.0 110.701 -179.566 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 4.5 tppp? -166.23 126.82 1.72 Allowed 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.462 -0.79 . . . . 10.0 109.171 179.696 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 7.1 mp -68.24 127.29 32.4 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.231 0.538 . . . . 10.0 110.624 -179.881 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 25.7 m-85 -126.05 128.25 47.12 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.623 -0.717 . . . . 10.0 110.794 -179.403 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 14.4 t70 -66.78 -47.03 73.42 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 107.608 -1.256 . . . . 10.0 107.608 177.655 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 43.0 tptt -116.3 123.41 47.6 Favored 'General case' 0 N--CA 1.449 -0.481 0 CA-C-N 114.532 -1.213 . . . . 10.0 108.354 178.17 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 45.4 mm -82.93 123.09 78.16 Favored Pre-proline 0 C--N 1.322 -0.627 0 CA-C-N 116.542 -0.299 . . . . 10.0 111.416 -179.096 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 31.6 Cg_exo -59.12 140.98 97.49 Favored 'Trans proline' 0 C--N 1.349 0.601 0 C-N-CA 122.216 1.944 . . . . 10.0 110.978 178.158 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -55.21 -35.72 65.2 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 112.996 0.739 . . . . 10.0 112.996 -178.061 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 97.6 p -73.41 -7.63 52.51 Favored 'General case' 0 C--O 1.26 1.631 0 O-C-N 121.746 -0.596 . . . . 0.0 111.023 -176.588 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 89.4 t -83.33 -28.14 7.75 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.934 0 CA-C-N 120.11 1.323 . . . . 10.0 111.435 -179.059 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' TRP . . . . . 0.403 ' HB3' ' CD1' ' B' ' 11' ' ' ILE . 60.5 m95 -61.5 -19.74 62.41 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 112.179 0.437 . . . . 10.0 112.179 -178.895 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 20.5 tptp -68.07 -22.15 64.94 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.729 0.3 . . . . 10.0 111.157 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 80.9 m-85 -99.88 10.03 42.0 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.444 -0.343 . . . . 10.0 111.716 -178.889 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -77.46 138.34 20.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-O 121.024 0.44 . . . . 10.0 110.013 179.508 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.247 0.936 0 CA-C-O 118.04 -0.981 . . . . 10.0 108.866 179.351 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.532 0.279 0 CA-C-O 120.565 0.221 . . . . 10.0 111.022 . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . -73.71 -49.41 25.83 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.845 0.355 . . . . 10.0 111.129 -179.601 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 8.6 mp -66.58 -11.28 52.46 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.918 -0.583 . . . . 10.0 111.248 -179.59 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 84.0 tttt -81.11 -47.94 12.83 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.94 -0.573 . . . . 10.0 110.912 -179.742 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 7' ' ' ILE . . . . . . . . . . . . . 31.0 pt -79.72 -24.81 12.13 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 CA-C-N 116.166 -0.47 . . . . 10.0 111.089 -179.805 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 8' ' ' LEU . . . . . 0.446 HD21 ' SD ' ' C' ' 29' ' ' MET . 35.2 tp -77.13 -12.7 59.98 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.977 -0.556 . . . . 10.0 110.97 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 9' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 -79.92 -18.38 50.68 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.371 -0.377 . . . . 10.0 111.384 -179.48 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 10' ' ' ASN . . . . . 0.41 ' OD1' ' HB2' ' B' ' 12' ' ' ARG . 23.7 t-20 -118.09 136.24 53.7 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.272 0.558 . . . . 10.0 110.539 -179.869 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 11' ' ' ILE . . . . . 0.403 ' CD1' ' HB3' ' A' ' 68' ' ' TRP . 3.3 mt -75.95 -27.22 18.1 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 N-CA-C 113.2 0.815 . . . . 10.0 113.2 -177.882 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 12' ' ' ARG . . . . . 0.41 ' HB2' ' OD1' ' B' ' 10' ' ' ASN . 93.1 mtt180 -62.81 -37.77 88.08 Favored 'General case' 0 N--CA 1.465 0.321 0 CA-C-O 120.792 0.329 . . . . 10.0 110.841 -179.242 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 13' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -79.06 -41.79 27.94 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.167 0.508 . . . . 10.0 110.501 179.121 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 28.1 tp -62.82 -41.31 99.26 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.566 -0.743 . . . . 10.0 111.758 -179.154 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 15' ' ' ARG . . . . . 0.404 ' O ' ' HG2' ' B' ' 19' ' ' ARG . 17.3 mtt180 -58.27 -29.93 66.19 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.725 -0.216 . . . . 10.0 111.413 -179.801 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 16' ' ' ALA . . . . . . . . . . . . . . . -90.86 -38.98 12.59 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.117 0.484 . . . . 10.0 111.084 -179.746 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 17' ' ' GLN . . . . . . . . . . . . . 14.4 tp60 -64.03 -34.4 77.92 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.066 -0.516 . . . . 10.0 111.439 -179.617 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -79.88 4.17 17.52 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 112.273 0.472 . . . . 10.0 112.273 -179.004 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 19' ' ' ARG . . . . . 0.404 ' HG2' ' O ' ' B' ' 15' ' ' ARG . 25.4 mmm180 -85.48 -16.49 39.41 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 122.2 -0.313 . . . . 10.0 111.342 -179.506 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -95.45 7.37 46.43 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.099 0.476 . . . . 10.0 110.703 -179.761 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 21' ' ' CYS . . . . . . . . . . . . . 79.0 m -127.8 138.9 52.89 Favored 'General case' 0 CA--C 1.51 -0.561 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.009 178.427 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -68.62 161.95 26.96 Favored 'General case' 0 C--N 1.313 -1.015 0 O-C-N 124.184 0.927 . . . . 10.0 111.37 179.007 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 17.9 tp -57.92 -39.95 79.2 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.342 -0.39 . . . . 10.0 110.427 179.67 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 7.7 tt0 -53.68 -53.43 52.18 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.788 -0.642 . . . . 10.0 111.103 179.746 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -64.62 -38.07 89.75 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.127 -0.488 . . . . 10.0 111.635 -179.354 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 26' ' ' LEU . . . . . 0.403 ' O ' ' HG2' ' B' ' 29' ' ' MET . 83.2 mt -66.09 -50.58 63.6 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.843 -0.617 . . . . 10.0 111.433 -179.271 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 27' ' ' GLU . . . . . 0.461 ' OE1' ' HD3' ' C' ' 41' ' ' ARG . 27.3 tt0 -65.02 -38.27 90.34 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.027 0.441 . . . . 10.0 110.18 -179.864 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 5.9 tm-20 -61.36 -45.87 92.6 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.799 -0.637 . . . . 10.0 110.646 179.897 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 29' ' ' MET . . . . . 0.403 ' HG2' ' O ' ' B' ' 26' ' ' LEU . 16.9 ptp -72.02 -30.21 64.98 Favored 'General case' 0 N--CA 1.463 0.192 0 CA-C-O 121.033 0.444 . . . . 10.0 110.058 179.63 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 15.6 tp -63.25 -46.28 87.64 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.016 -0.538 . . . . 10.0 110.061 178.75 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -60.31 -33.47 72.42 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.83 -0.623 . . . . 10.0 110.637 179.709 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -68.27 -39.45 82.16 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.175 -0.466 . . . . 10.0 110.495 179.552 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 22.6 tp -71.93 -34.88 69.43 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 109.657 -0.498 . . . . 10.0 109.657 179.024 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 17.5 tp10 -57.64 -51.71 68.41 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.809 -0.632 . . . . 10.0 110.79 179.229 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 35' ' ' VAL . . . . . . . . . . . . . 26.4 m -65.95 -31.27 52.96 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.305 0 CA-C-N 116.696 -0.229 . . . . 10.0 111.577 -179.466 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 42.5 t -69.92 -47.3 70.1 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-O 120.955 0.407 . . . . 10.0 110.21 179.566 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 87.0 t -66.68 -36.29 76.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-O 121.063 0.459 . . . . 10.0 109.96 179.089 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 27.3 t-20 -60.98 -39.45 89.67 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.13 -0.486 . . . . 10.0 109.989 178.721 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 39' ' ' GLU . . . . . 0.418 ' O ' ' HG3' ' B' ' 43' ' ' GLU . 23.7 mt-10 -63.52 -49.73 72.34 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.958 -0.564 . . . . 10.0 109.777 178.654 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 20.5 mmm-85 -58.04 -36.08 72.23 Favored 'General case' 0 C--O 1.232 0.148 0 CA-C-N 115.974 -0.557 . . . . 10.0 110.41 179.575 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 41' ' ' ARG . . . . . . . . . . . . . 69.4 mtt180 -58.71 -46.46 87.28 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.787 -0.642 . . . . 10.0 109.913 178.756 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -70.34 -39.74 74.53 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.4 -0.818 . . . . 10.0 110.906 -179.631 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 43' ' ' GLU . . . . . 0.418 ' HG3' ' O ' ' B' ' 39' ' ' GLU . 78.8 mt-10 -58.16 -39.53 79.08 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.926 0.393 . . . . 10.0 111.576 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -77.7 -45.91 23.43 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 116.15 -0.477 . . . . 10.0 112.279 -178.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 45' ' ' SER . . . . . . . . . . . . . 13.4 p -69.69 -36.67 76.17 Favored 'General case' 0 C--N 1.327 -0.413 0 N-CA-C 112.267 0.469 . . . . 10.0 112.267 -178.494 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.322 0 N-CA-C 111.854 0.316 . . . . 10.0 111.854 -179.273 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' C' C ' 3' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.521 -0.162 0 N-CA-C 109.58 -0.526 . . . . 10.0 109.58 . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 4' ' ' ALA . . . . . . . . . . . . . . . -66.68 -34.8 78.65 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.576 -0.738 . . . . 10.0 110.8 179.699 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 5' ' ' LEU . . . . . . . . . . . . . 64.3 mt -79.63 -10.64 59.82 Favored 'General case' 0 CA--C 1.532 0.285 0 CA-C-N 116.326 -0.397 . . . . 10.0 110.992 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 6' ' ' LYS . . . . . . . . . . . . . 21.2 tptm -72.1 -55.42 7.36 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.414 -0.357 . . . . 10.0 110.567 -179.744 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 7' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -75.44 -12.23 14.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.992 0.425 . . . . 10.0 110.769 -179.668 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 8' ' ' LEU . . . . . . . . . . . . . 12.4 tp -72.0 -21.93 61.49 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.707 -0.679 . . . . 10.0 110.469 179.794 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 9' ' ' ASN . . . . . . . . . . . . . 7.9 t-20 -91.9 -5.75 52.67 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.148 -0.478 . . . . 10.0 110.371 179.669 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 10' ' ' ASN . . . . . . . . . . . . . 74.7 m-20 -92.16 108.53 20.01 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.096 -0.502 . . . . 10.0 110.344 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 11' ' ' ILE . . . . . 0.402 ' O ' ' HB2' ' C' ' 15' ' ' ARG . 1.8 tp -58.03 -35.47 52.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-N 116.388 -0.369 . . . . 10.0 111.385 -179.485 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 12' ' ' ARG . . . . . . . . . . . . . 14.9 mmt85 -71.15 -50.12 36.71 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.622 0.249 . . . . 10.0 111.273 -179.749 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 13' ' ' THR . . . . . . . . . . . . . 1.8 m -65.53 -41.72 92.79 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.121 0.486 . . . . 10.0 111.221 -179.73 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 14' ' ' LEU . . . . . . . . . . . . . 50.6 tp -61.76 -48.51 80.35 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.713 -0.676 . . . . 10.0 110.695 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 15' ' ' ARG . . . . . 0.402 ' HB2' ' O ' ' C' ' 11' ' ' ILE . 24.3 ttt-85 -60.93 -30.47 70.23 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.141 -0.482 . . . . 10.0 110.985 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 16' ' ' ALA . . . . . . . . . . . . . . . -77.31 -45.94 24.59 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.312 -0.404 . . . . 10.0 111.86 -179.748 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 17' ' ' GLN . . . . . . . . . . . . . 2.0 tt0 -75.31 -21.93 58.07 Favored 'General case' 0 C--N 1.331 -0.231 0 C-N-CA 121.068 -0.253 . . . . 10.0 111.48 -179.269 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 18' ' ' ALA . . . . . 0.431 ' O ' HD13 ' C' ' 26' ' ' LEU . . . -67.73 -18.41 64.89 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.073 0.463 . . . . 10.0 110.662 179.306 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 19' ' ' ARG . . . . . . . . . . . . . 98.0 mtt180 -84.07 5.91 24.2 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.304 -0.407 . . . . 10.0 111.172 -179.811 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 20' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -87.07 -14.4 41.57 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.21 -0.45 . . . . 10.0 111.194 179.458 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 21' ' ' CYS . . . . . . . . . . . . . 73.1 m -133.1 168.96 17.56 Favored 'General case' 0 CA--C 1.512 -0.519 0 CA-C-O 121.474 0.654 . . . . 0.0 110.974 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 22' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -76.69 166.27 23.6 Favored 'General case' 0 N--CA 1.45 -0.442 0 CA-C-N 115.072 -0.967 . . . . 10.0 111.47 179.904 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 60.7 tp -62.48 -33.21 74.4 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.206 -0.452 . . . . 10.0 110.965 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 24' ' ' GLU . . . . . . . . . . . . . 4.5 tt0 -56.1 -54.65 42.5 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.316 -0.402 . . . . 10.0 110.831 179.901 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 25' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -67.11 -40.75 86.92 Favored 'General case' 0 N--CA 1.449 -0.507 0 CA-C-N 116.073 -0.512 . . . . 10.0 111.328 -179.828 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 26' ' ' LEU . . . . . 0.431 HD13 ' O ' ' C' ' 18' ' ' ALA . 89.8 mt -60.53 -46.04 91.61 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.176 0.512 . . . . 10.0 110.951 179.406 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 27' ' ' GLU . . . . . 0.504 ' O ' ' HG3' ' C' ' 31' ' ' GLU . 41.1 tt0 -67.7 -48.99 65.0 Favored 'General case' 0 N--CA 1.447 -0.602 0 CA-C-N 115.859 -0.61 . . . . 10.0 110.785 -179.734 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 28' ' ' GLU . . . . . 0.493 ' O ' ' HG3' ' C' ' 32' ' ' LYS . 3.8 tt0 -57.5 -39.54 76.69 Favored 'General case' 0 N--CA 1.461 0.121 0 O-C-N 123.069 0.23 . . . . 10.0 110.93 -179.479 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 29' ' ' MET . . . . . 0.446 ' SD ' HD21 ' B' ' 8' ' ' LEU . 13.2 ptp -73.89 -31.56 63.17 Favored 'General case' 0 C--N 1.331 -0.203 0 C-N-CA 120.449 -0.5 . . . . 10.0 110.719 179.926 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 30' ' ' LEU . . . . . . . . . . . . . 12.6 tp -66.81 -40.4 88.04 Favored 'General case' 0 C--O 1.232 0.148 0 N-CA-C 109.342 -0.614 . . . . 10.0 109.342 178.625 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 31' ' ' GLU . . . . . 0.504 ' HG3' ' O ' ' C' ' 27' ' ' GLU . 52.2 mt-10 -62.81 -31.62 72.65 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.256 -0.884 . . . . 10.0 110.435 179.623 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 32' ' ' LYS . . . . . 0.493 ' HG3' ' O ' ' C' ' 28' ' ' GLU . 85.1 mttt -81.03 -16.89 52.04 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.067 -0.515 . . . . 10.0 110.405 179.817 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 33' ' ' LEU . . . . . 0.538 ' O ' HG11 ' C' ' 36' ' ' VAL . 50.1 tp -86.27 -40.2 15.77 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.149 -0.478 . . . . 10.0 110.508 179.609 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 34' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -66.9 -30.59 70.78 Favored 'General case' 0 C--N 1.326 -0.454 0 C-N-CA 120.934 -0.306 . . . . 10.0 111.327 -179.551 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 35' ' ' VAL . . . . . . . . . . . . . 27.1 m -73.87 -33.97 38.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 C-N-CA 120.973 -0.291 . . . . 10.0 111.335 -179.824 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 36' ' ' VAL . . . . . 0.538 HG11 ' O ' ' C' ' 33' ' ' LEU . 3.8 p -71.97 -31.07 39.17 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.17 0 N-CA-C 109.381 -0.6 . . . . 10.0 109.381 179.135 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 37' ' ' VAL . . . . . . . . . . . . . 77.9 t -72.57 -36.37 53.6 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.341 0 N-CA-C 108.893 -0.781 . . . . 10.0 108.893 178.148 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 38' ' ' ASN . . . . . . . . . . . . . 2.0 t30 -59.05 -42.17 89.63 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.513 -0.767 . . . . 10.0 109.451 178.411 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 39' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -61.6 -34.89 76.41 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 115.512 -0.767 . . . . 10.0 110.115 179.408 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 40' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -73.64 -30.45 62.95 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.873 -0.603 . . . . 10.0 109.903 178.706 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 41' ' ' ARG . . . . . 0.461 ' HD3' ' OE1' ' B' ' 27' ' ' GLU . 10.3 mmm180 -66.35 -47.37 73.64 Favored 'General case' 0 C--N 1.333 -0.15 0 N-CA-C 109.157 -0.682 . . . . 10.0 109.157 178.281 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 42' ' ' GLU . . . . . . . . . . . . . 16.2 mt-10 -65.86 -12.59 55.6 Favored 'General case' 0 N--CA 1.464 0.232 0 CA-C-N 115.791 -0.64 . . . . 10.0 110.726 179.469 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 43' ' ' GLU . . . . . . . . . . . . . 23.3 tt0 -88.33 -56.23 3.4 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.613 -0.721 . . . . 10.0 111.35 -179.247 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 44' ' ' GLU . . . . . . . . . . . . . 5.3 mt-10 -77.36 -33.61 55.28 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 112.665 0.616 . . . . 10.0 112.665 -178.418 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 45' ' ' SER . . . . . . . . . . . . . 50.4 m -74.87 -5.93 46.35 Favored 'General case' 0 N--CA 1.463 0.203 0 CA-C-O 120.873 0.368 . . . . 10.0 111.363 -179.88 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 46' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.484 0 CA-C-O 121.037 0.446 . . . . 10.0 110.612 179.905 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 52.2 tp . . . . . 0 N--CA 1.479 0.983 0 N-CA-C 110.104 -0.332 . . . . 10.0 110.104 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -92.05 152.3 20.03 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.298 -0.41 . . . . 10.0 111.03 -179.869 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 60.8 pttt -69.23 -20.05 63.95 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.796 0.332 . . . . 10.0 110.625 179.655 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -61.68 -38.3 87.27 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.028 -0.533 . . . . 10.0 111.035 179.639 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -63.16 -38.32 90.72 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.065 -0.516 . . . . 10.0 110.61 -179.773 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 4.3 m-85 -78.42 -37.42 43.87 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.062 -0.517 . . . . 10.0 109.687 178.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 42.7 tp -58.29 -51.22 70.69 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.823 -0.626 . . . . 10.0 110.896 179.767 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 1.6 tpt -65.44 -31.89 73.22 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.033 0.444 . . . . 10.0 110.393 -179.86 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.76 -30.48 69.09 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.992 -0.549 . . . . 10.0 110.418 179.201 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 91.3 mt -93.23 -4.03 52.67 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.166 -0.47 . . . . 10.0 111.229 -179.803 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -66.35 -23.89 66.42 Favored 'General case' 0 N--CA 1.464 0.272 0 CA-C-O 121.104 0.478 . . . . 10.0 110.662 -179.886 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 90.2 mtm-85 -78.17 -20.06 52.73 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.311 0.577 . . . . 10.0 110.527 179.319 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 35.4 m -79.57 99.39 7.28 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.782 -0.644 . . . . 10.0 110.691 -179.809 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . 0.4 ' C ' ' H ' ' A' ' 21' ' ' ILE . 12.4 mm100 -98.65 -174.32 2.77 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.821 -0.627 . . . . 10.0 109.772 179.054 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' THR . . . . . 0.45 ' O ' ' HB ' ' A' ' 21' ' ' ILE . 7.4 p 62.79 -8.19 0.13 Allowed 'General case' 0 N--CA 1.472 0.675 0 N-CA-C 114.428 1.269 . . . . 10.0 114.428 178.283 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . 0.45 ' HB ' ' O ' ' A' ' 20' ' ' THR . 82.0 mt 73.43 -48.63 0.19 Allowed 'Isoleucine or valine' 0 N--CA 1.469 0.493 0 C-N-CA 122.876 0.471 . . . . 10.0 110.657 -179.147 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 13.0 t70 -54.65 -37.75 66.06 Favored 'General case' 0 C--N 1.327 -0.384 0 C-N-CA 123.06 0.544 . . . . 10.0 111.275 179.762 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 5.3 m -67.3 -39.87 86.0 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.253 0.549 . . . . 10.0 110.596 179.128 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.413 ' O ' HG11 ' A' ' 27' ' ' VAL . 20.0 tp -65.83 -40.01 91.39 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.337 -0.847 . . . . 10.0 110.874 -179.268 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 6.7 tp10 -56.69 -26.22 56.03 Favored 'General case' 0 CA--C 1.538 0.508 0 CA-C-N 115.961 -0.563 . . . . 10.0 111.802 -179.647 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 72.9 mtt85 -90.7 -39.77 12.25 Favored 'General case' 0 C--N 1.33 -0.271 0 N-CA-C 111.845 0.313 . . . . 10.0 111.845 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.413 HG11 ' O ' ' A' ' 24' ' ' LEU . 5.8 p -65.77 -35.37 74.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 C-N-CA 121.088 -0.245 . . . . 10.0 111.271 -178.951 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . 0.483 ' O ' ' HB2' ' A' ' 32' ' ' LYS . 48.7 pt -74.48 -21.95 17.53 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-O 120.975 0.417 . . . . 10.0 110.235 179.582 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 9.9 tp10 -78.22 -46.16 21.11 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.824 -0.626 . . . . 10.0 109.634 179.415 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 24.1 mtpp -67.14 -47.91 69.66 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.646 -0.706 . . . . 10.0 111.003 179.902 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . 0.467 ' O ' ' HG ' ' A' ' 35' ' ' LEU . 0.1 OUTLIER -66.26 -25.63 66.97 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.196 -0.457 . . . . 10.0 111.622 -179.339 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.483 ' HB2' ' O ' ' A' ' 28' ' ' ILE . 36.0 ttmt -56.7 -34.48 67.47 Favored 'General case' 0 C--N 1.328 -0.358 0 C-N-CA 122.778 0.431 . . . . 10.0 111.632 -179.712 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 88.6 m-85 -96.93 -3.07 42.46 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 120.924 0.392 . . . . 10.0 111.469 -178.872 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 53.5 mt-10 -103.91 9.08 36.9 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.17 0.51 . . . . 10.0 110.195 179.478 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.467 ' HG ' ' O ' ' A' ' 31' ' ' ASN . 88.7 mt -104.7 158.39 16.54 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.751 -0.658 . . . . 10.0 110.521 179.638 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' SER . . . . . 0.482 ' O ' ' HB2' ' A' ' 37' ' ' ASP . 2.4 m -92.9 1.68 57.17 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 116.139 -0.482 . . . . 10.0 110.47 -179.799 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . 0.482 ' HB2' ' O ' ' A' ' 36' ' ' SER . 97.1 m-20 79.75 -14.4 0.86 Allowed 'General case' 0 C--O 1.255 1.389 0 C-N-CA 124.919 1.288 . . . . 0.0 111.079 178.929 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 2.2 p-10 -82.77 -32.82 27.59 Favored 'General case' 0 C--N 1.331 -0.234 0 O-C-N 120.827 -1.171 . . . . 10.0 109.869 178.829 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -88.0 -16.08 34.66 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 108.948 -0.76 . . . . 10.0 108.948 178.873 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 29.5 tp -61.21 -21.55 63.94 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 114.759 -1.11 . . . . 10.0 110.317 179.176 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -60.58 -40.01 90.15 Favored 'General case' 0 N--CA 1.455 -0.223 0 CA-C-N 115.871 -0.604 . . . . 10.0 111.465 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 35.5 m -93.06 -17.17 7.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.677 -0.238 . . . . 10.0 111.022 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 54.3 t80 -66.38 -32.38 73.73 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.824 0.345 . . . . 10.0 110.509 179.617 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 24.8 m-85 -58.42 -64.68 0.84 Allowed 'General case' 0 C--O 1.224 -0.263 0 CA-C-N 115.947 -0.57 . . . . 10.0 110.501 179.096 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 18.2 t -56.97 -28.6 62.48 Favored 'General case' 0 CA--C 1.535 0.389 0 CA-C-N 116.142 -0.481 . . . . 10.0 111.379 -179.209 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -67.69 -55.02 14.83 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.749 0.309 . . . . 10.0 110.547 179.217 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -68.09 -39.29 82.9 Favored 'General case' 0 C--O 1.235 0.335 0 CA-C-N 116.08 -0.509 . . . . 10.0 110.557 179.882 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -55.8 -44.91 78.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.547 0.689 . . . . 10.0 110.022 178.961 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' HIS . . . . . 0.422 ' O ' ' HG2' ' A' ' 53' ' ' GLU . 6.2 t60 -70.98 -43.65 67.6 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.436 -0.802 . . . . 10.0 110.584 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 17.9 tpt180 -60.75 -41.71 95.96 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.041 -0.527 . . . . 10.0 111.921 -178.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 11.9 tp -69.9 -37.87 76.12 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 116.582 -0.281 . . . . 10.0 110.902 -179.667 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -58.78 -51.08 71.52 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.346 -0.388 . . . . 10.0 112.011 -179.557 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . 0.422 ' HG2' ' O ' ' A' ' 49' ' ' HIS . 10.7 pt-20 -67.5 -32.4 73.19 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.366 -0.379 . . . . 10.0 111.541 -179.197 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 12.0 tp -73.85 -33.95 64.32 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 111.774 0.287 . . . . 10.0 111.774 -179.127 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 13.3 m -70.67 -37.05 73.62 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.804 0.335 . . . . 10.0 111.034 -179.699 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 93.6 mmm -88.87 -8.97 53.29 Favored 'General case' 0 C--O 1.235 0.299 0 CA-C-N 116.423 -0.353 . . . . 10.0 110.844 179.831 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 49.6 t30 63.19 27.15 15.52 Favored 'General case' 0 N--CA 1.465 0.322 0 CA-C-N 115.637 -0.711 . . . . 10.0 110.833 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 43.9 tttp -141.2 122.99 15.31 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.734 -0.666 . . . . 10.0 109.847 -179.872 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 7.8 mp -74.32 136.55 42.56 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.137 -0.483 . . . . 10.0 110.929 -179.473 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 52.9 m-85 -129.74 143.16 50.68 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.766 -0.652 . . . . 10.0 110.262 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 23.1 m-20 -74.77 -43.34 55.34 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 109.12 -0.696 . . . . 10.0 109.12 178.632 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 24.3 pttt -104.57 -163.03 0.93 Allowed 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.482 -0.781 . . . . 10.0 109.518 178.854 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.429 ' HA ' ' HD3' ' A' ' 64' ' ' PRO . 12.9 mm -120.9 125.19 27.14 Favored Pre-proline 0 C--N 1.324 -0.522 0 N-CA-C 111.723 0.268 . . . . 10.0 111.723 -179.285 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . 0.429 ' HD3' ' HA ' ' A' ' 63' ' ' ILE . 5.2 Cg_exo -80.45 133.18 9.43 Favored 'Trans proline' 0 C--N 1.349 0.58 0 C-N-CA 122.729 2.286 . . . . 10.0 110.64 176.626 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 1.1 m -58.78 -46.68 86.97 Favored 'General case' 0 C--N 1.32 -0.716 0 N-CA-C 113.507 0.929 . . . . 10.0 113.507 -178.397 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 97.7 p -80.82 23.5 0.54 Allowed 'General case' 0 C--O 1.26 1.649 0 O-C-N 121.375 -0.828 . . . . 0.0 110.981 -176.346 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 1.8 p -101.83 -19.52 5.98 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.096 0 CA-C-N 120.924 1.693 . . . . 10.0 111.418 -179.809 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' TRP . . . . . 0.454 ' CZ2' ' HE2' ' C' ' 32' ' ' LYS . 81.5 m95 -70.59 -8.79 54.21 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 112.419 0.525 . . . . 10.0 112.419 -178.316 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 14.6 tppt? -82.95 -17.49 43.38 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.196 0.522 . . . . 10.0 110.169 179.445 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 40.1 m-85 -94.13 -3.6 50.74 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 120.851 0.358 . . . . 10.0 110.885 -179.611 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 29.4 mt -109.2 139.03 33.68 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 CA-C-N 116.223 -0.444 . . . . 10.0 110.69 -179.17 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 46.3 mtp180 . . . . . 0 C--O 1.25 1.086 0 CA-C-O 118.532 -0.747 . . . . 10.0 110.289 -179.714 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.886 0.374 . . . . 10.0 110.21 . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . -67.01 -46.02 75.77 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 115.969 -0.56 . . . . 10.0 110.705 -179.811 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 8.7 mp -76.54 -14.06 60.04 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.136 -0.484 . . . . 10.0 111.316 -179.811 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 60.5 tttt -72.51 -49.6 31.71 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.185 -0.461 . . . . 10.0 110.5 -179.828 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 7' ' ' ILE . . . . . . . . . . . . . 34.6 pt -76.16 -20.4 15.32 Favored 'Isoleucine or valine' 0 C--O 1.232 0.181 0 CA-C-N 116.352 -0.385 . . . . 10.0 111.112 -179.769 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 5.5 tp -77.26 -20.19 55.48 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.973 -0.558 . . . . 10.0 111.084 -179.786 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 9' ' ' ASN . . . . . . . . . . . . . 46.2 t30 -93.25 24.08 4.05 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.754 0.312 . . . . 10.0 111.657 -179.036 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 10' ' ' ASN . . . . . . . . . . . . . 28.4 t-20 -148.63 120.35 8.08 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 109.917 -0.401 . . . . 10.0 109.917 178.354 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 3.4 pt -63.49 -34.32 66.75 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 N-CA-C 113.088 0.773 . . . . 10.0 113.088 -178.21 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 12' ' ' ARG . . . . . . . . . . . . . 51.2 mtt180 -64.63 -40.07 94.81 Favored 'General case' 0 C--N 1.325 -0.486 0 C-N-CA 121.033 -0.267 . . . . 10.0 111.572 -178.488 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 13' ' ' THR . . . . . . . . . . . . . 1.4 p -80.4 -40.13 27.03 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 121.222 0.534 . . . . 10.0 111.167 179.335 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 18.2 tp -67.37 -35.54 79.55 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.794 -0.639 . . . . 10.0 111.885 -178.579 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 15' ' ' ARG . . . . . 0.427 ' O ' ' HG2' ' B' ' 19' ' ' ARG . 18.1 mtt180 -57.76 -40.99 81.02 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.528 0.204 . . . . 10.0 111.078 -179.892 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 16' ' ' ALA . . . . . . . . . . . . . . . -75.93 -35.3 59.79 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.098 0.475 . . . . 10.0 111.151 -179.72 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 17' ' ' GLN . . . . . . . . . . . . . 26.6 tp60 -67.89 -34.87 77.49 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.007 -0.542 . . . . 10.0 111.376 -179.666 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -78.67 2.57 19.07 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 112.602 0.593 . . . . 10.0 112.602 -178.843 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 19' ' ' ARG . . . . . 0.427 ' HG2' ' O ' ' B' ' 15' ' ' ARG . 21.5 mmm180 -87.91 -9.83 52.47 Favored 'General case' 0 C--N 1.327 -0.397 0 C-N-CA 120.644 -0.422 . . . . 10.0 110.615 179.531 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 4.3 pt-20 -96.63 -0.99 47.72 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.971 0.415 . . . . 10.0 110.848 179.747 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 21' ' ' CYS . . . . . 0.456 ' SG ' HD12 ' C' ' 5' ' ' LEU . 79.4 m -123.46 140.04 53.41 Favored 'General case' 0 CA--C 1.51 -0.57 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.013 178.952 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 22' ' ' THR . . . . . 0.545 ' HB ' ' OE1' ' B' ' 24' ' ' GLU . 0.0 OUTLIER -71.57 163.19 28.2 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 116.322 -0.399 . . . . 10.0 111.082 178.866 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 46.7 tp -58.96 -32.34 69.55 Favored 'General case' 0 C--O 1.224 -0.268 0 CA-C-N 116.532 -0.303 . . . . 10.0 111.239 -179.217 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 24' ' ' GLU . . . . . 0.545 ' OE1' ' HB ' ' B' ' 22' ' ' THR . 29.0 mp0 -56.35 -47.51 78.69 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.854 0.359 . . . . 10.0 111.374 -179.459 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 1.6 m -72.74 -37.75 67.62 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.944 0.402 . . . . 10.0 110.878 179.693 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 97.2 mt -63.86 -44.18 93.88 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.988 -0.551 . . . . 10.0 110.762 -179.747 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 19.2 tt0 -65.13 -43.37 92.13 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.701 -0.681 . . . . 10.0 110.564 179.89 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 18.3 tt0 -62.11 -46.89 87.03 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.714 -0.676 . . . . 10.0 111.032 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 29' ' ' MET . . . . . . . . . . . . . 14.3 ptp -68.44 -28.55 67.15 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.691 -0.231 . . . . 10.0 110.627 -179.747 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 64.9 tp -64.65 -53.24 50.59 Favored 'General case' 0 N--CA 1.452 -0.373 0 CA-C-N 116.457 -0.338 . . . . 10.0 110.204 179.776 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 38.8 mt-10 -61.15 -38.19 85.53 Favored 'General case' 0 C--O 1.234 0.282 0 CA-C-N 116.111 -0.495 . . . . 10.0 110.157 179.576 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 3.8 ttmt -63.14 -46.5 86.95 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.491 -0.777 . . . . 10.0 110.633 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 33.4 tp -68.24 -34.87 77.01 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.136 0.493 . . . . 10.0 109.939 179.219 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 37.6 tt0 -60.34 -48.47 81.61 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.629 -0.714 . . . . 10.0 110.906 179.618 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 35' ' ' VAL . . . . . . . . . . . . . 23.3 m -67.78 -29.13 44.04 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.148 0 C-N-CA 120.746 -0.382 . . . . 10.0 110.704 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 24.0 t -69.16 -48.41 69.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-O 121.124 0.488 . . . . 10.0 109.86 178.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 76.0 t -67.71 -38.55 80.51 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-N 116.092 -0.504 . . . . 10.0 110.028 179.152 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 19.5 t30 -62.2 -38.03 87.58 Favored 'General case' 0 C--O 1.234 0.287 0 N-CA-C 109.562 -0.532 . . . . 10.0 109.562 178.534 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 39' ' ' GLU . . . . . 0.514 ' O ' ' HG3' ' B' ' 43' ' ' GLU . 5.5 tt0 -61.84 -45.03 95.58 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 108.946 -0.761 . . . . 10.0 108.946 178.307 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 21.2 mmm-85 -62.34 -41.76 98.84 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.171 -0.922 . . . . 10.0 109.521 178.718 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 41' ' ' ARG . . . . . . . . . . . . . 94.5 mtt180 -55.89 -44.83 78.55 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-N 115.772 -0.649 . . . . 10.0 109.893 179.151 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 2.2 tp10 -62.22 -42.07 98.97 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.882 -0.599 . . . . 10.0 110.602 179.807 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 43' ' ' GLU . . . . . 0.514 ' HG3' ' O ' ' B' ' 39' ' ' GLU . 32.3 mt-10 -67.62 -39.0 84.71 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.83 0.348 . . . . 10.0 110.416 179.594 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -69.44 -37.03 77.19 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.673 -0.694 . . . . 10.0 111.431 -179.47 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 45' ' ' SER . . . . . . . . . . . . . 34.3 p -99.4 21.1 12.57 Favored 'General case' 0 N--CA 1.464 0.241 0 CA-C-O 120.95 0.405 . . . . 10.0 111.678 -179.313 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.321 -0.662 0 CA-C-O 120.925 0.393 . . . . 10.0 110.826 -179.973 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' C' C ' 3' ' ' GLU . . . . . 0.444 ' O ' HG12 ' C' ' 7' ' ' ILE . 2.8 mp0 . . . . . 0 C--O 1.232 0.157 0 CA-C-O 120.97 0.414 . . . . 10.0 110.931 . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 4' ' ' ALA . . . . . . . . . . . . . . . -56.21 -44.0 79.06 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.793 -0.64 . . . . 10.0 111.84 -179.771 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 5' ' ' LEU . . . . . 0.456 HD12 ' SG ' ' B' ' 21' ' ' CYS . 93.0 mt -71.05 -29.86 65.87 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.682 0.277 . . . . 10.0 111.668 -179.082 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 6' ' ' LYS . . . . . . . . . . . . . 9.5 tptm -67.09 -36.36 81.8 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.014 0.435 . . . . 10.0 110.935 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 7' ' ' ILE . . . . . 0.444 HG12 ' O ' ' C' ' 3' ' ' GLU . 43.0 mm -68.03 -31.37 51.6 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 115.828 -0.623 . . . . 10.0 111.073 -179.891 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 8' ' ' LEU . . . . . . . . . . . . . 6.4 mp -76.31 -13.94 60.13 Favored 'General case' 0 C--O 1.235 0.305 0 CA-C-N 116.091 -0.504 . . . . 10.0 111.759 -179.372 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 9' ' ' ASN . . . . . . . . . . . . . 25.8 t-20 -81.26 -19.85 42.19 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.047 0.451 . . . . 10.0 110.375 179.786 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 10' ' ' ASN . . . . . . . . . . . . . 4.2 m120 -96.39 119.41 34.82 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.088 0.471 . . . . 10.0 110.987 -179.699 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 11' ' ' ILE . . . . . . . . . . . . . 4.8 tp -62.94 -28.18 44.56 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.189 0 CA-C-N 115.872 -0.604 . . . . 10.0 111.022 -179.913 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 12' ' ' ARG . . . . . . . . . . . . . 26.3 mmt180 -62.99 -48.48 78.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.244 -0.434 . . . . 10.0 111.384 -179.712 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 13' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -75.93 -38.94 57.14 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 120.649 0.262 . . . . 10.0 111.546 -179.311 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 14' ' ' LEU . . . . . . . . . . . . . 13.1 tp -61.82 -41.88 98.33 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.843 0.354 . . . . 10.0 110.686 -179.783 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 15' ' ' ARG . . . . . . . . . . . . . 20.8 ttm180 -71.92 -7.8 50.66 Favored 'General case' 0 CA--C 1.534 0.352 0 CA-C-O 121.351 0.596 . . . . 10.0 110.598 179.779 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 16' ' ' ALA . . . . . . . . . . . . . . . -100.89 -45.05 5.56 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.124 -0.489 . . . . 10.0 111.126 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 17' ' ' GLN . . . . . . . . . . . . . 96.8 mt-30 -69.62 -31.62 69.84 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.245 -0.434 . . . . 10.0 111.418 -179.388 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 18' ' ' ALA . . . . . . . . . . . . . . . -70.39 -0.66 8.68 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 112.523 0.564 . . . . 10.0 112.523 -179.205 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 19' ' ' ARG . . . . . . . . . . . . . 67.3 mtt180 -86.38 -16.17 38.11 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.032 0.444 . . . . 10.0 110.262 179.442 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 20' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -74.63 -63.19 1.3 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.668 -0.696 . . . . 10.0 110.838 179.644 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 21' ' ' CYS . . . . . . . . . . . . . 74.4 m -70.29 157.79 37.07 Favored 'General case' 0 CA--C 1.51 -0.572 0 CA-C-O 122.254 1.025 . . . . 0.0 110.951 -179.357 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 22' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -83.8 167.9 16.67 Favored 'General case' 0 N--CA 1.45 -0.444 0 CA-C-N 114.758 -1.11 . . . . 10.0 110.302 178.027 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 21.4 tp -54.87 -43.11 72.83 Favored 'General case' 0 C--N 1.332 -0.159 0 O-C-N 123.142 0.276 . . . . 10.0 111.733 -179.4 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 24' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -50.0 -58.16 6.05 Favored 'General case' 0 N--CA 1.465 0.276 0 O-C-N 123.492 0.495 . . . . 10.0 111.652 -179.849 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 25' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -62.22 -36.12 81.01 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.096 -0.502 . . . . 10.0 111.969 -179.009 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 26' ' ' LEU . . . . . . . . . . . . . 76.6 mt -65.4 -42.94 92.05 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.85 0.357 . . . . 10.0 110.628 179.85 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 27' ' ' GLU . . . . . 0.517 ' O ' ' HG3' ' C' ' 31' ' ' GLU . 12.1 mt-10 -67.94 -47.21 69.32 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.03 -0.532 . . . . 10.0 110.347 179.782 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 28' ' ' GLU . . . . . . . . . . . . . 9.0 tt0 -53.77 -46.65 71.05 Favored 'General case' 0 N--CA 1.462 0.163 0 O-C-N 123.404 0.44 . . . . 10.0 111.073 -179.623 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 29' ' ' MET . . . . . . . . . . . . . 16.0 ptp -75.19 -30.61 60.7 Favored 'General case' 0 C--N 1.328 -0.342 0 C-N-CA 121.218 -0.193 . . . . 10.0 111.357 -179.51 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 30' ' ' LEU . . . . . . . . . . . . . 19.8 tp -64.04 -45.5 88.57 Favored 'General case' 0 C--O 1.234 0.247 0 CA-C-O 121.055 0.455 . . . . 10.0 110.205 179.265 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 31' ' ' GLU . . . . . 0.517 ' HG3' ' O ' ' C' ' 27' ' ' GLU . 65.1 mt-10 -63.69 -32.28 73.71 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.599 -0.728 . . . . 10.0 110.383 179.847 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 32' ' ' LYS . . . . . 0.537 ' O ' HG12 ' C' ' 35' ' ' VAL . 29.0 mttt -73.79 -33.16 64.1 Favored 'General case' 0 N--CA 1.452 -0.36 0 CA-C-N 115.868 -0.605 . . . . 10.0 110.631 179.637 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 33' ' ' LEU . . . . . . . . . . . . . 63.3 tp -76.64 -42.44 42.06 Favored 'General case' 0 C--O 1.235 0.312 0 CA-C-O 120.571 0.224 . . . . 10.0 110.786 179.474 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 34' ' ' GLU . . . . . 0.402 ' HG2' ' HA ' ' C' ' 31' ' ' GLU . 8.7 pt-20 -63.01 -33.18 74.87 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.405 -0.361 . . . . 10.0 110.786 -179.236 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 35' ' ' VAL . . . . . 0.537 HG12 ' O ' ' C' ' 32' ' ' LYS . 2.9 p -71.17 -33.64 51.73 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.262 0 C-N-CA 120.74 -0.384 . . . . 10.0 110.497 179.685 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 36' ' ' VAL . . . . . 0.47 HG22 ' O ' ' C' ' 32' ' ' LYS . 96.7 t -69.35 -45.63 78.54 Favored 'Isoleucine or valine' 0 C--O 1.234 0.246 0 N-CA-C 109.652 -0.499 . . . . 10.0 109.652 179.229 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 37' ' ' VAL . . . . . . . . . . . . . 59.0 t -62.85 -37.68 79.84 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.324 0 N-CA-C 109.229 -0.656 . . . . 10.0 109.229 178.888 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 38' ' ' ASN . . . . . 0.451 ' O ' ' HG3' ' C' ' 42' ' ' GLU . 13.4 t-20 -58.38 -45.5 88.19 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 115.944 -0.571 . . . . 10.0 109.901 178.776 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 39' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -58.97 -41.63 88.0 Favored 'General case' 0 N--CA 1.461 0.116 0 CA-C-N 116.306 -0.406 . . . . 10.0 110.148 179.17 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 40' ' ' ARG . . . . . 0.545 ' HD2' ' OE1' ' C' ' 43' ' ' GLU . 7.1 mmm180 -64.89 -36.51 84.58 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.489 -0.778 . . . . 10.0 110.625 179.769 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 41' ' ' ARG . . . . . . . . . . . . . 4.9 mmm180 -61.82 -38.65 88.95 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.912 -0.585 . . . . 10.0 110.418 179.715 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 42' ' ' GLU . . . . . 0.451 ' HG3' ' O ' ' C' ' 38' ' ' ASN . 6.1 mt-10 -67.99 -29.72 68.81 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.03 -0.532 . . . . 10.0 110.815 -179.611 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 43' ' ' GLU . . . . . 0.545 ' OE1' ' HD2' ' C' ' 40' ' ' ARG . 48.5 mt-10 -72.15 -54.74 8.81 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.275 0.559 . . . . 10.0 109.944 179.325 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 44' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -60.79 -38.05 84.0 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.342 -0.845 . . . . 10.0 112.135 -179.506 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 45' ' ' SER . . . . . . . . . . . . . 50.5 m -83.94 3.73 32.79 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 112.324 0.49 . . . . 10.0 112.324 -179.241 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 46' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.476 0 CA-C-O 121.093 0.473 . . . . 10.0 110.322 179.325 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 6.9 mp . . . . . 0 N--CA 1.479 1.008 0 N-CA-C 110.275 -0.269 . . . . 10.0 110.275 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -71.87 154.07 41.48 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.175 -0.466 . . . . 10.0 110.995 -179.902 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.54 ' HD2' ' CB ' ' A' ' 45' ' ' SER . 21.0 ttpt -60.68 -38.64 85.6 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.344 0.592 . . . . 10.0 110.581 179.908 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -68.07 -28.55 67.46 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.332 -0.849 . . . . 10.0 111.818 -179.803 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -62.63 -46.7 87.06 Favored 'General case' 0 N--CA 1.463 0.213 0 CA-C-O 120.87 0.367 . . . . 10.0 110.828 -179.492 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 27.8 m-85 -72.48 -40.68 66.74 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 109.607 -0.516 . . . . 10.0 109.607 179.163 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 55.7 tp -57.6 -48.5 79.23 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.392 -0.822 . . . . 10.0 111.285 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 62.9 mmm -65.8 -35.89 81.96 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.671 0.272 . . . . 10.0 111.308 -179.644 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.68 -31.99 73.02 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.138 0.494 . . . . 10.0 109.931 179.212 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 96.4 mt -86.34 -5.83 59.08 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.147 -0.479 . . . . 10.0 111.171 179.72 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -70.69 -16.71 62.82 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.753 0.311 . . . . 10.0 111.019 -179.747 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 17.2 mtm-85 -90.59 -3.36 57.62 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.139 0.495 . . . . 10.0 110.433 179.847 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 46.3 m -89.9 119.24 30.1 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.825 -0.625 . . . . 10.0 110.064 179.618 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 3.7 mm-40 -119.24 -175.19 2.88 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.927 -0.579 . . . . 10.0 110.979 -179.338 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 1.2 m 67.31 -4.4 0.88 Allowed 'General case' 0 N--CA 1.472 0.643 0 N-CA-C 113.196 0.813 . . . . 10.0 113.196 178.706 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 90.4 mt 70.61 -54.42 0.27 Allowed 'Isoleucine or valine' 0 N--CA 1.469 0.518 0 C-N-CA 122.985 0.514 . . . . 10.0 111.674 -179.719 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . 0.44 ' O ' ' HG3' ' A' ' 26' ' ' ARG . 34.7 t70 -56.43 -42.35 77.92 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.794 0.33 . . . . 10.0 111.029 179.863 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 3.3 m -60.9 -30.54 70.24 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.011 0.434 . . . . 10.0 110.744 179.694 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.405 ' O ' HG11 ' A' ' 27' ' ' VAL . 22.6 tp -75.79 -44.13 42.86 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 109.555 -0.535 . . . . 10.0 109.555 179.22 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 7.7 tp10 -59.07 -31.3 68.75 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.643 -0.708 . . . . 10.0 110.626 179.909 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . 0.44 ' HG3' ' O ' ' A' ' 22' ' ' ASP . 77.7 mtt180 -74.76 -48.95 22.79 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.294 -0.412 . . . . 10.0 111.682 179.723 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.405 HG11 ' O ' ' A' ' 24' ' ' LEU . 9.8 p -64.52 -35.3 74.15 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.36 0 N-CA-C 112.422 0.527 . . . . 10.0 112.422 -178.028 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 50.6 pt -69.8 -27.4 33.12 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.123 0 O-C-N 122.161 -0.337 . . . . 10.0 110.591 179.873 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 51.6 tp10 -71.01 -39.65 72.28 Favored 'General case' 0 N--CA 1.456 -0.161 0 N-CA-C 109.508 -0.553 . . . . 10.0 109.508 179.232 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 20.7 mtpp -65.32 -48.47 72.97 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.782 -0.645 . . . . 10.0 110.224 179.32 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . 0.402 ' O ' ' HG ' ' A' ' 35' ' ' LEU . 2.7 m120 -62.35 -25.76 68.08 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.576 -0.738 . . . . 10.0 111.196 -179.646 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 33.4 ttmt -59.47 -29.82 68.09 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.853 0.358 . . . . 10.0 110.964 179.695 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 29.9 m-85 -110.29 -2.2 16.87 Favored 'General case' 0 CA--C 1.531 0.229 0 CA-C-O 120.881 0.372 . . . . 10.0 111.347 -179.229 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 69.4 mt-10 -103.68 -23.32 13.46 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.663 -0.244 . . . . 10.0 111.386 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.402 ' HG ' ' O ' ' A' ' 31' ' ' ASN . 45.6 mt -73.72 154.1 39.77 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.939 0.399 . . . . 10.0 111.279 -179.389 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -86.57 19.85 2.7 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.953 -0.567 . . . . 10.0 111.804 -179.066 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 97.8 m-20 71.22 -41.42 0.5 Allowed 'General case' 0 C--O 1.259 1.593 0 C-N-CA 124.966 1.306 . . . . 0.0 111.033 177.661 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 30.6 p-10 -57.63 -52.51 65.14 Favored 'General case' 0 C--N 1.319 -0.722 0 O-C-N 120.274 -1.516 . . . . 10.0 111.626 -178.576 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -82.44 2.42 32.71 Favored 'General case' 0 C--N 1.331 -0.221 0 N-CA-C 111.9 0.333 . . . . 10.0 111.9 -179.332 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 41.8 tp -66.95 -23.04 65.91 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.162 0.506 . . . . 10.0 109.911 179.292 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -67.8 -49.69 60.99 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.713 -0.676 . . . . 10.0 110.934 179.848 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -73.96 -26.22 21.01 Favored 'Isoleucine or valine' 0 C--O 1.232 0.15 0 CA-C-O 121.018 0.437 . . . . 10.0 110.664 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 45.7 t80 -68.33 -33.09 73.67 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.013 -0.54 . . . . 10.0 110.093 179.054 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 2.2 m-85 -57.11 -52.6 64.65 Favored 'General case' 0 N--CA 1.462 0.161 0 CA-C-N 116.036 -0.529 . . . . 10.0 110.334 179.281 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' SER . . . . . 0.54 ' CB ' ' HD2' ' A' ' 8' ' ' LYS . 71.7 m -60.25 -35.59 75.85 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.655 -0.702 . . . . 10.0 111.517 179.804 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -66.02 -44.88 83.42 Favored 'General case' 0 C--O 1.235 0.336 0 CA-C-O 120.941 0.401 . . . . 10.0 110.355 179.499 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -66.68 -46.65 74.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.539 -0.755 . . . . 10.0 110.292 179.299 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 30.4 m-20 -57.43 -47.51 81.58 Favored 'General case' 0 C--O 1.231 0.108 0 CA-C-N 115.902 -0.59 . . . . 10.0 110.568 179.552 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' HIS . . . . . 0.543 ' O ' ' HG2' ' A' ' 53' ' ' GLU . 5.4 t60 -60.77 -52.61 64.38 Favored 'General case' 0 CA--C 1.521 -0.149 0 CA-C-N 116.045 -0.525 . . . . 10.0 110.635 -179.885 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 27.6 tpt180 -59.89 -43.8 94.6 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.245 -0.434 . . . . 10.0 111.458 -178.696 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.426 HD23 ' HG3' ' A' ' 72' ' ' ARG . 53.4 tp -60.56 -43.25 97.46 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 120.548 0.213 . . . . 10.0 111.485 -179.333 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -58.92 -52.62 64.94 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.428 -0.351 . . . . 10.0 111.578 -179.808 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . 0.543 ' HG2' ' O ' ' A' ' 49' ' ' HIS . 5.7 pt-20 -72.86 -24.32 60.85 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.29 -0.414 . . . . 10.0 111.642 -179.027 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 13.7 tp -73.06 -40.5 65.02 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.622 -0.263 . . . . 10.0 110.683 179.897 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 15.7 m -66.03 -38.54 88.65 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.17 0.51 . . . . 10.0 110.518 179.737 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 80.6 mmm -81.82 -17.18 48.37 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.835 -0.621 . . . . 10.0 110.4 179.338 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 54.1 t30 62.99 40.42 9.3 Favored 'General case' 0 N--CA 1.466 0.346 0 CA-C-N 115.578 -0.737 . . . . 10.0 110.638 -179.591 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 21.0 tptp -151.13 124.65 8.96 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.399 -0.819 . . . . 10.0 109.087 -179.704 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 6.0 mp -76.12 130.55 38.46 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 120.918 0.389 . . . . 10.0 111.447 -178.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 68.2 m-85 -125.4 144.7 50.39 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.976 -0.556 . . . . 10.0 110.455 179.711 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . 0.424 ' O ' ' HE1' ' A' ' 49' ' ' HIS . 0.2 OUTLIER -63.55 -59.75 4.23 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 121.134 0.492 . . . . 10.0 110.0 179.18 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 7.3 ttpp -113.42 148.08 36.54 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 107.723 -1.214 . . . . 10.0 107.723 177.466 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 45.0 mm -80.99 120.05 77.72 Favored Pre-proline 0 C--N 1.317 -0.822 0 C-N-CA 120.794 -0.362 . . . . 10.0 110.826 -179.342 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . 0.434 ' O ' HG12 ' A' ' 67' ' ' VAL . 24.6 Cg_exo -62.42 133.84 45.16 Favored 'Trans proline' 0 N--CA 1.465 -0.201 0 C-N-CA 122.409 2.073 . . . . 10.0 111.424 178.805 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -57.57 -28.59 63.7 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 120.92 0.391 . . . . 10.0 111.832 -179.215 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 94.1 p -81.26 -12.47 59.09 Favored 'General case' 0 C--O 1.252 1.205 0 C-N-CA 122.933 0.493 . . . . 0.0 110.982 -178.256 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . 0.434 HG12 ' O ' ' A' ' 64' ' ' PRO . 0.7 OUTLIER -92.82 -10.29 9.6 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.892 0 CA-C-N 119.577 1.08 . . . . 10.0 111.35 -177.622 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' TRP . . . . . . . . . . . . . 22.1 m95 -64.32 -19.71 65.61 Favored 'General case' 0 CA--C 1.531 0.229 0 CA-C-O 121.156 0.503 . . . . 10.0 111.24 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 14.9 tptp -74.67 -2.96 28.56 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.141 -0.481 . . . . 10.0 112.023 -178.79 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 62.9 m-85 -107.04 10.87 30.19 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 111.909 0.337 . . . . 10.0 111.909 -179.209 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 1.6 mp -84.26 134.44 26.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-O 120.794 0.33 . . . . 10.0 110.76 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . 0.426 ' HG3' HD23 ' A' ' 51' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--O 1.25 1.091 0 CA-C-O 118.473 -0.775 . . . . 10.0 110.654 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 3.5 pm0 . . . . . 0 C--O 1.232 0.178 0 CA-C-O 120.887 0.375 . . . . 10.0 111.2 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . -62.14 -41.43 98.26 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.171 -0.468 . . . . 10.0 111.585 -179.351 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 5' ' ' LEU . . . . . 0.403 HD23 ' SD ' ' C' ' 29' ' ' MET . 5.2 mp -84.95 0.18 52.15 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.275 -0.421 . . . . 10.0 111.634 -179.113 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 8.1 tttt -76.29 -41.13 49.75 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.898 0.38 . . . . 10.0 110.44 -179.751 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 7' ' ' ILE . . . . . . . . . . . . . 23.0 pt -90.22 -10.55 10.21 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-O 121.089 0.471 . . . . 10.0 110.53 179.475 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 34.5 tp -82.07 -11.8 58.59 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.376 -0.829 . . . . 10.0 110.398 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 9' ' ' ASN . . . . . . . . . . . . . 65.5 t30 -84.71 5.87 26.51 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.792 -0.64 . . . . 10.0 112.009 -178.77 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 10' ' ' ASN . . . . . 0.464 ' OD1' ' HB2' ' B' ' 12' ' ' ARG . 23.2 t-20 -140.04 136.43 33.66 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 121.133 0.492 . . . . 10.0 111.36 179.863 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 46.6 mt -68.7 -40.42 81.59 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-N 115.458 -0.792 . . . . 10.0 112.229 -178.722 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 12' ' ' ARG . . . . . 0.464 ' HB2' ' OD1' ' B' ' 10' ' ' ASN . 96.6 mtt180 -60.85 -43.95 97.66 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.602 0.239 . . . . 10.0 111.472 -178.544 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 13' ' ' THR . . . . . . . . . . . . . 2.4 p -74.67 -34.03 62.6 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.748 0.309 . . . . 10.0 111.124 179.673 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 8.9 tp -66.73 -39.78 88.12 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.258 -0.428 . . . . 10.0 111.517 -179.713 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 63.6 mtt180 -56.8 -36.39 69.83 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.368 -0.378 . . . . 10.0 110.926 179.905 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 16' ' ' ALA . . . . . . . . . . . . . . . -66.43 -51.9 52.13 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.868 -0.605 . . . . 10.0 111.663 -179.297 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 17' ' ' GLN . . . . . 0.478 ' O ' ' HG2' ' B' ' 20' ' ' GLU . 0.7 OUTLIER -67.79 -24.43 65.31 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.732 -0.213 . . . . 10.0 111.52 -179.058 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -76.22 1.08 16.89 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 112.151 0.426 . . . . 10.0 112.151 -179.543 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 28.5 mmt180 -90.21 -17.19 27.96 Favored 'General case' 0 C--N 1.328 -0.363 0 C-N-CA 121.135 -0.226 . . . . 10.0 111.372 -179.689 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 20' ' ' GLU . . . . . 0.478 ' HG2' ' O ' ' B' ' 17' ' ' GLN . 12.9 pt-20 -93.88 -1.88 54.16 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.245 0.545 . . . . 10.0 110.979 179.878 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 21' ' ' CYS . . . . . 1.388 ' SG ' ' HB ' ' B' ' 25' ' ' THR . 53.8 t -117.28 137.49 52.37 Favored 'General case' 0 CA--C 1.51 -0.585 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.003 178.856 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 1.7 m -73.69 158.16 35.2 Favored 'General case' 0 C--N 1.316 -0.851 0 O-C-N 123.898 0.749 . . . . 10.0 109.959 178.783 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 44.2 tp -53.75 -37.45 63.4 Favored 'General case' 0 C--N 1.333 -0.134 0 CA-C-O 120.735 0.302 . . . . 10.0 110.605 179.831 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 7.4 tp10 -57.46 -48.75 78.34 Favored 'General case' 0 C--O 1.235 0.298 0 CA-C-N 115.745 -0.661 . . . . 10.0 110.809 179.395 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 25' ' ' THR . . . . . 1.388 ' HB ' ' SG ' ' B' ' 21' ' ' CYS . 0.2 OUTLIER -65.54 -38.01 88.37 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.05 -0.523 . . . . 10.0 110.804 -179.93 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 26' ' ' LEU . . . . . 0.435 ' HG ' ' HG ' ' B' ' 21' ' ' CYS . 86.7 mt -63.85 -47.88 78.99 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.97 -0.559 . . . . 10.0 110.659 179.912 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 27' ' ' GLU . . . . . 0.482 ' OE1' ' HD3' ' C' ' 41' ' ' ARG . 4.9 tp10 -62.58 -36.69 83.5 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.967 0.413 . . . . 10.0 110.214 179.097 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -65.3 -49.92 67.65 Favored 'General case' 0 C--O 1.234 0.261 0 CA-C-N 115.678 -0.692 . . . . 10.0 110.743 179.839 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 29' ' ' MET . . . . . . . . . . . . . 5.3 ppp? -72.36 -25.44 61.53 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.531 -0.304 . . . . 10.0 111.753 -178.873 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 62.9 tp -64.36 -44.68 90.66 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.919 0.39 . . . . 10.0 110.001 179.325 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 31' ' ' GLU . . . . . 0.406 ' O ' HG21 ' B' ' 35' ' ' VAL . 38.8 mt-10 -64.09 -33.24 75.32 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.843 -0.617 . . . . 10.0 109.717 178.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 39.2 mmtm -62.59 -43.23 99.32 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.611 -0.722 . . . . 10.0 110.456 179.245 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 43.4 tp -75.5 -38.95 59.12 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.377 -0.374 . . . . 10.0 110.549 179.907 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 3.9 tp10 -55.18 -50.34 69.6 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.195 -0.457 . . . . 10.0 111.201 -179.818 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 35' ' ' VAL . . . . . 0.55 ' O ' ' HG3' ' B' ' 39' ' ' GLU . 12.3 m -63.29 -33.16 59.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 C-N-CA 120.897 -0.321 . . . . 10.0 111.206 -179.895 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 35.1 t -67.8 -44.82 85.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 N-CA-C 109.965 -0.383 . . . . 10.0 109.965 179.376 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 61.5 t -64.3 -38.34 82.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.413 0 N-CA-C 109.197 -0.668 . . . . 10.0 109.197 178.459 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 29.7 t-20 -61.64 -44.7 96.48 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.582 -0.735 . . . . 10.0 109.713 178.727 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 39' ' ' GLU . . . . . 0.55 ' HG3' ' O ' ' B' ' 35' ' ' VAL . 40.4 mt-10 -62.47 -47.22 84.96 Favored 'General case' 0 C--O 1.232 0.179 0 CA-C-O 121.007 0.432 . . . . 10.0 110.427 179.004 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 17.4 mmm-85 -61.09 -48.04 83.54 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.906 -0.588 . . . . 10.0 110.588 179.283 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 41' ' ' ARG . . . . . . . . . . . . . 36.9 mtt180 -61.23 -40.42 93.96 Favored 'General case' 0 C--N 1.333 -0.141 0 CA-C-N 116.368 -0.378 . . . . 10.0 110.89 179.638 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 21.2 tp10 -60.9 -47.85 84.49 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.331 -0.395 . . . . 10.0 110.815 179.88 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 90.5 mt-10 -70.69 -27.07 63.72 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 116.242 -0.435 . . . . 10.0 111.347 -179.876 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 2.3 tp10 -76.76 -32.83 57.99 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.204 -0.453 . . . . 10.0 111.014 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 45' ' ' SER . . . . . . . . . . . . . 4.3 p -83.58 -47.33 11.41 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.402 -0.363 . . . . 10.0 110.854 -179.626 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.322 0 CA-C-O 121.25 0.548 . . . . 10.0 110.729 179.891 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' C' C ' 3' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.15 0 N-CA-C 109.776 -0.453 . . . . 10.0 109.776 . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 4' ' ' ALA . . . . . . . . . . . . . . . -72.34 -34.43 68.03 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.739 -0.664 . . . . 10.0 111.333 -179.271 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 5' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -72.16 -19.37 61.77 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.45 -0.341 . . . . 10.0 111.641 -179.56 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 6' ' ' LYS . . . . . . . . . . . . . 22.2 tptm -69.34 -33.12 72.63 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.734 0.302 . . . . 10.0 111.46 -178.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 7' ' ' ILE . . . . . . . . . . . . . 29.6 pt -86.49 -10.11 11.18 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 C-N-CA 120.966 -0.293 . . . . 10.0 111.427 -179.439 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 8' ' ' LEU . . . . . . . . . . . . . 2.9 mp -77.82 -20.7 52.73 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.207 0.527 . . . . 10.0 110.266 179.598 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 9' ' ' ASN . . . . . . . . . . . . . 28.1 t-20 -80.84 -15.5 56.21 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.663 0.744 . . . . 10.0 109.664 178.789 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 10' ' ' ASN . . . . . . . . . . . . . 7.4 m-80 -90.66 114.47 26.77 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.218 -0.901 . . . . 10.0 110.466 -179.419 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 11' ' ' ILE . . . . . . . . . . . . . 9.3 tp -63.63 -27.04 42.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-N 115.88 -0.6 . . . . 10.0 111.14 -179.664 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 12' ' ' ARG . . . . . . . . . . . . . 16.6 mmt180 -65.97 -42.89 89.32 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.152 -0.476 . . . . 10.0 111.496 -179.374 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 13' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -82.11 -35.33 28.67 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 120.854 0.359 . . . . 10.0 110.899 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 14' ' ' LEU . . . . . . . . . . . . . 10.2 tp -62.58 -37.92 88.1 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.952 0.406 . . . . 10.0 110.451 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 15' ' ' ARG . . . . . . . . . . . . . 16.3 mtt180 -67.78 -15.67 63.75 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.088 -0.505 . . . . 10.0 111.262 179.476 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 16' ' ' ALA . . . . . . . . . . . . . . . -98.33 -39.52 8.77 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.921 0.391 . . . . 10.0 110.912 179.909 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 17' ' ' GLN . . . . . . . . . . . . . 20.9 mm-40 -64.91 -35.89 82.61 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.002 -0.545 . . . . 10.0 111.121 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 18' ' ' ALA . . . . . . . . . . . . . . . -74.72 10.26 1.47 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.105 -0.498 . . . . 10.0 112.127 -179.355 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 19' ' ' ARG . . . . . . . . . . . . . 61.1 mtt-85 -102.02 -16.48 16.45 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.373 0.606 . . . . 10.0 109.952 179.439 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 20' ' ' GLU . . . . . . . . . . . . . 29.5 tt0 -93.01 -23.15 18.77 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.673 -0.694 . . . . 10.0 110.392 -179.826 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 21' ' ' CYS . . . . . . . . . . . . . 74.1 m -97.94 144.37 27.56 Favored 'General case' 0 CA--C 1.51 -0.56 0 CA-C-O 121.442 0.639 . . . . 0.0 111.058 -179.445 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 22' ' ' THR . . . . . . . . . . . . . 2.0 m -72.52 147.93 45.51 Favored 'General case' 0 C--O 1.238 0.482 0 CA-C-N 115.991 -0.549 . . . . 10.0 110.289 178.016 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 46.0 tp -58.06 -38.05 75.59 Favored 'General case' 0 C--N 1.333 -0.145 0 O-C-N 123.136 0.273 . . . . 10.0 111.223 179.809 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 24' ' ' GLU . . . . . . . . . . . . . 40.5 tt0 -58.2 -48.99 78.62 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.831 0.348 . . . . 10.0 110.967 -179.876 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 25' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -64.99 -36.83 85.66 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.112 -0.495 . . . . 10.0 110.865 179.763 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 26' ' ' LEU . . . . . . . . . . . . . 20.8 mt -62.07 -41.48 98.2 Favored 'General case' 0 N--CA 1.463 0.219 0 CA-C-N 115.88 -0.6 . . . . 10.0 110.216 179.366 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 27' ' ' GLU . . . . . . . . . . . . . 25.7 tt0 -65.1 -48.06 75.0 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.087 -0.506 . . . . 10.0 110.571 179.348 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 28' ' ' GLU . . . . . . . . . . . . . 7.5 tt0 -57.29 -46.28 83.3 Favored 'General case' 0 C--O 1.234 0.267 0 CA-C-N 116.138 -0.483 . . . . 10.0 111.354 -179.128 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 29' ' ' MET . . . . . 0.403 ' SD ' HD23 ' B' ' 5' ' ' LEU . 19.2 ptp -75.83 -25.15 56.01 Favored 'General case' 0 C--N 1.326 -0.427 0 C-N-CA 120.743 -0.383 . . . . 10.0 111.667 -179.54 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 30' ' ' LEU . . . . . . . . . . . . . 26.3 tp -64.53 -44.92 89.34 Favored 'General case' 0 CA--C 1.52 -0.182 0 N-CA-C 109.541 -0.54 . . . . 10.0 109.541 179.088 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 31' ' ' GLU . . . . . . . . . . . . . 68.8 mt-10 -64.03 -31.38 72.55 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.773 -0.648 . . . . 10.0 109.911 179.233 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 32' ' ' LYS . . . . . 0.491 ' O ' HG22 ' C' ' 36' ' ' VAL . 86.3 mttt -70.96 -36.4 72.55 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.877 -0.601 . . . . 10.0 110.533 179.358 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 33' ' ' LEU . . . . . 0.437 ' O ' HG22 ' C' ' 37' ' ' VAL . 53.7 tp -73.41 -37.68 65.83 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 109.835 -0.431 . . . . 10.0 109.835 178.776 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 34' ' ' GLU . . . . . . . . . . . . . 15.5 tp10 -53.4 -49.48 67.18 Favored 'General case' 0 C--O 1.234 0.259 0 CA-C-N 115.47 -0.786 . . . . 10.0 111.02 179.791 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 35' ' ' VAL . . . . . 0.468 ' O ' ' HG3' ' C' ' 39' ' ' GLU . 16.1 m -68.11 -34.36 66.2 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 C-N-CA 120.886 -0.325 . . . . 10.0 111.379 -179.429 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 36' ' ' VAL . . . . . 0.491 HG22 ' O ' ' C' ' 32' ' ' LYS . 65.7 t -62.62 -46.55 96.12 Favored 'Isoleucine or valine' 0 C--O 1.233 0.187 0 N-CA-C 109.586 -0.524 . . . . 10.0 109.586 179.139 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 37' ' ' VAL . . . . . 0.437 HG22 ' O ' ' C' ' 33' ' ' LEU . 43.4 t -64.69 -39.54 85.98 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.267 0 N-CA-C 109.365 -0.606 . . . . 10.0 109.365 178.738 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 38' ' ' ASN . . . . . . . . . . . . . 1.1 t30 -59.52 -45.82 90.64 Favored 'General case' 0 C--O 1.234 0.237 0 CA-C-N 115.926 -0.579 . . . . 10.0 110.352 179.317 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 39' ' ' GLU . . . . . 0.468 ' HG3' ' O ' ' C' ' 35' ' ' VAL . 31.0 mt-10 -57.93 -42.16 84.24 Favored 'General case' 0 C--N 1.333 -0.136 0 CA-C-O 121.393 0.616 . . . . 10.0 109.417 178.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 40' ' ' ARG . . . . . . . . . . . . . 7.1 mmm180 -65.73 -38.81 90.16 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.038 -0.983 . . . . 10.0 110.337 179.229 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 41' ' ' ARG . . . . . 0.482 ' HD3' ' OE1' ' B' ' 27' ' ' GLU . 8.2 mmm180 -61.2 -42.94 99.48 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.811 -0.631 . . . . 10.0 109.618 178.631 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 42' ' ' GLU . . . . . . . . . . . . . 18.8 mt-10 -62.29 -43.94 97.66 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.428 -0.805 . . . . 10.0 111.159 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 43' ' ' GLU . . . . . . . . . . . . . 60.5 mt-10 -60.42 -52.29 65.87 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.241 -0.436 . . . . 10.0 111.244 -179.698 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 44' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -68.57 -14.65 63.15 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.295 -0.411 . . . . 10.0 111.122 -179.935 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 45' ' ' SER . . . . . . . . . . . . . 4.0 t -95.05 -11.68 27.94 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.889 0.376 . . . . 10.0 110.469 179.179 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 46' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.341 0 CA-C-N 116.098 -0.501 . . . . 10.0 110.833 -179.781 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 4.5 mp . . . . . 0 N--CA 1.479 0.98 0 N-CA-C 109.956 -0.387 . . . . 10.0 109.956 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -85.07 159.2 20.24 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 120.874 0.369 . . . . 10.0 111.199 -179.339 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 66.8 tttt -59.84 -33.9 72.39 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.734 -0.666 . . . . 10.0 110.783 179.597 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -59.71 -41.46 90.87 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.402 -0.817 . . . . 10.0 111.506 179.872 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -60.98 -50.33 73.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.973 -0.558 . . . . 10.0 110.879 -179.858 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 18.2 m-85 -64.54 -37.75 88.62 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.889 -0.596 . . . . 10.0 110.44 -179.8 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 38.9 tp -61.04 -40.96 95.61 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.896 -0.593 . . . . 10.0 110.694 -179.802 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 18.5 mmt -70.12 -36.94 75.17 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.981 0.419 . . . . 10.0 110.297 179.594 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.59 -34.58 78.56 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.995 -0.548 . . . . 10.0 110.521 179.65 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 52.7 mt -91.13 -11.62 37.98 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.383 -0.371 . . . . 10.0 111.606 -179.677 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -68.84 -21.64 64.27 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.068 0.461 . . . . 10.0 110.889 -179.934 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . 0.429 HH11 ' HD3' ' A' ' 17' ' ' ARG . 18.5 mtm180 -89.34 -0.76 57.72 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.106 -0.497 . . . . 10.0 110.93 -179.75 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 26.7 m -97.34 131.17 44.27 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 120.797 0.332 . . . . 10.0 110.35 -179.78 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . 0.459 ' C ' ' H ' ' A' ' 21' ' ' ILE . 7.2 mm-40 -129.02 -175.93 3.71 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.013 -0.54 . . . . 10.0 110.642 -179.81 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' THR . . . . . 0.4 ' O ' ' HB ' ' A' ' 21' ' ' ILE . 7.6 m 73.98 -18.06 0.42 Allowed 'General case' 0 CA--C 1.534 0.357 0 O-C-N 123.685 0.616 . . . . 10.0 111.521 179.257 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . 0.459 ' H ' ' C ' ' A' ' 19' ' ' GLN . 75.7 mt 73.48 -44.57 0.14 Allowed 'Isoleucine or valine' 0 N--CA 1.469 0.506 0 C-N-CA 123.345 0.658 . . . . 10.0 111.463 179.674 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -55.18 -40.62 70.91 Favored 'General case' 0 N--CA 1.466 0.361 0 C-N-CA 122.884 0.474 . . . . 10.0 110.866 179.797 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 2.1 m -72.78 -33.66 66.44 Favored 'General case' 0 CA--C 1.533 0.304 0 CA-C-N 115.83 -0.623 . . . . 10.0 110.907 179.358 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.427 ' O ' HG12 ' A' ' 28' ' ' ILE . 16.6 tp -68.79 -40.06 79.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.963 -0.562 . . . . 10.0 110.004 179.598 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 3.8 tp10 -63.87 -22.83 67.1 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.492 -0.776 . . . . 10.0 110.955 179.761 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 73.7 mtt85 -92.12 -40.67 10.91 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.501 -0.318 . . . . 10.0 111.799 -179.503 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.401 HG11 ' O ' ' A' ' 24' ' ' LEU . 6.5 p -64.19 -34.17 67.2 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.32 0 CA-C-N 116.555 -0.293 . . . . 10.0 111.675 -179.256 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . 0.427 HG12 ' O ' ' A' ' 24' ' ' LEU . 23.3 pt -77.0 -27.86 16.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 C-N-CA 121.086 -0.246 . . . . 10.0 111.111 179.846 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 53.1 tp10 -73.42 -44.55 58.07 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.052 0.453 . . . . 10.0 110.037 179.67 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 23.2 mtpp -67.84 -41.98 82.12 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.841 -0.618 . . . . 10.0 110.583 179.696 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 59.6 t30 -68.73 -23.16 64.31 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.901 -0.591 . . . . 10.0 111.234 -179.485 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 28.0 ttmt -59.53 -33.14 71.02 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.385 -0.37 . . . . 10.0 111.234 -179.562 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 12.7 m-85 -94.77 5.21 52.53 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.603 0.24 . . . . 10.0 111.318 -179.217 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 30.0 mt-10 -111.22 -21.14 12.05 Favored 'General case' 0 C--N 1.324 -0.521 0 C-N-CA 121.008 -0.277 . . . . 10.0 111.451 -179.241 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 84.1 mt -77.33 169.59 18.04 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.936 0.398 . . . . 10.0 111.315 -179.41 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' SER . . . . . 0.493 ' O ' ' HB2' ' A' ' 37' ' ' ASP . 1.4 m -84.3 -9.66 58.29 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.156 -0.475 . . . . 10.0 110.748 -179.105 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . 0.493 ' HB2' ' O ' ' A' ' 36' ' ' SER . 97.0 m-20 79.67 -22.88 0.26 Allowed 'General case' 0 C--O 1.252 1.187 0 C-N-CA 123.981 0.913 . . . . 0.0 110.983 177.552 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 1.1 p-10 -80.69 -27.79 36.93 Favored 'General case' 0 C--N 1.33 -0.248 0 O-C-N 120.775 -1.203 . . . . 10.0 110.588 179.436 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -102.59 3.74 37.64 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 121.293 0.568 . . . . 10.0 110.082 179.635 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 25.0 tp -66.6 -20.26 65.96 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.292 -0.867 . . . . 10.0 110.338 179.49 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -59.97 -42.81 94.95 Favored 'General case' 0 CA--C 1.53 0.176 0 CA-C-N 115.804 -0.635 . . . . 10.0 111.614 -179.858 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 4.7 m -82.17 -21.29 9.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 C-N-CA 120.927 -0.309 . . . . 10.0 110.83 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 75.5 t80 -67.95 -41.2 82.86 Favored 'General case' 0 C--N 1.33 -0.271 0 N-CA-C 109.478 -0.564 . . . . 10.0 109.478 179.119 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 2.9 m-85 -64.9 -34.19 77.81 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.846 -0.615 . . . . 10.0 110.08 178.806 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 1.6 t -64.88 -28.63 69.67 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.864 -0.607 . . . . 10.0 110.114 179.119 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -82.22 -43.98 16.94 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.89 -0.595 . . . . 10.0 109.982 178.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -60.06 -50.56 73.23 Favored 'General case' 0 C--N 1.333 -0.116 0 CA-C-N 115.848 -0.614 . . . . 10.0 110.945 179.901 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . 0.423 ' OD2' ' HA ' ' B' ' 10' ' ' ASN . 65.3 m-20 -57.84 -51.68 68.61 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.634 -0.712 . . . . 10.0 110.361 179.632 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' HIS . . . . . 0.436 ' CE1' HG12 ' A' ' 63' ' ' ILE . 4.6 t60 -58.46 -43.08 88.71 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.316 -0.856 . . . . 10.0 111.667 -179.123 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 30.3 tpt180 -66.58 -41.32 88.73 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.599 -0.273 . . . . 10.0 110.957 -179.614 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 31.5 tp -66.26 -38.3 87.49 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.846 0.355 . . . . 10.0 110.842 -179.797 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -58.59 -54.16 50.21 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.06 -0.518 . . . . 10.0 111.662 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -71.01 -30.79 67.12 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.262 -0.426 . . . . 10.0 111.466 -179.068 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 7.8 tp -66.65 -38.56 87.14 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.658 0.266 . . . . 10.0 111.143 -179.647 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 16.3 m -68.52 -33.57 74.35 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 116.407 -0.361 . . . . 10.0 110.344 179.834 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 1.5 tmm? -86.42 -9.39 56.38 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.384 -0.371 . . . . 10.0 110.968 179.863 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 38.2 t30 62.81 33.51 15.21 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.607 -0.724 . . . . 10.0 111.296 179.788 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 7.9 tptp -151.57 126.36 9.64 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.564 -0.289 . . . . 10.0 110.27 -179.913 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 8.7 mp -70.22 121.77 18.21 Favored 'General case' 0 C--O 1.236 0.377 0 CA-C-O 120.823 0.344 . . . . 10.0 111.007 -179.448 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 29.0 m-85 -126.62 121.26 31.67 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.908 -0.587 . . . . 10.0 111.24 -179.315 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 15.2 m-20 -65.68 -39.19 91.03 Favored 'General case' 0 C--N 1.33 -0.244 0 N-CA-C 108.931 -0.766 . . . . 10.0 108.931 178.552 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 23.8 mttt -112.32 138.35 49.17 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 108.174 -1.047 . . . . 10.0 108.174 178.161 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.436 HG12 ' CE1' ' A' ' 49' ' ' HIS . 50.0 mm -102.66 121.43 49.64 Favored Pre-proline 0 C--N 1.319 -0.728 0 C-N-CA 120.88 -0.328 . . . . 10.0 111.556 -178.851 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . 0.427 ' O ' HG12 ' A' ' 67' ' ' VAL . 4.7 Cg_exo -75.73 119.29 5.38 Favored 'Trans proline' 0 N--CA 1.455 -0.748 0 C-N-CA 122.126 1.884 . . . . 10.0 109.683 177.089 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -42.15 -37.4 1.43 Allowed 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 113.286 0.847 . . . . 10.0 113.286 -178.867 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 88.6 p -58.73 -29.3 66.6 Favored 'General case' 0 C--O 1.255 1.371 0 O-C-N 121.466 -0.771 . . . . 0.0 110.968 -177.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . 0.427 HG12 ' O ' ' A' ' 64' ' ' PRO . 1.8 p -74.67 -22.09 17.33 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.817 0 CA-C-N 119.124 0.874 . . . . 10.0 112.247 -176.703 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' TRP . . . . . 0.432 ' HB3' HG21 ' C' ' 35' ' ' VAL . 39.3 m95 -64.91 -16.56 63.42 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 112.293 0.479 . . . . 10.0 112.293 -178.471 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 4.3 tppp? -73.14 -10.19 59.52 Favored 'General case' 0 CA--C 1.535 0.375 0 CA-C-O 121.323 0.582 . . . . 10.0 110.397 179.808 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 72.7 m-85 -107.46 2.2 24.06 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.142 -0.481 . . . . 10.0 111.343 -179.496 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 2.9 mp -120.52 127.76 75.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 120.871 0.367 . . . . 10.0 111.637 -179.206 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . 0.516 ' HA ' ' NH2' ' B' ' 15' ' ' ARG . 15.0 mmt85 . . . . . 0 C--O 1.244 0.797 0 CA-C-O 118.23 -0.89 . . . . 10.0 110.288 179.475 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 3' ' ' GLU . . . . . 0.41 ' H ' ' CD ' ' B' ' 3' ' ' GLU . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.259 0 CA-C-O 121.004 0.431 . . . . 10.0 110.336 . . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . -74.69 -45.97 40.86 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.067 -0.515 . . . . 10.0 110.76 179.912 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 10.8 mp -65.64 -19.61 65.98 Favored 'General case' 0 N--CA 1.464 0.273 0 CA-C-O 121.147 0.499 . . . . 10.0 111.074 -179.528 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 6' ' ' LYS . . . . . 0.479 ' HZ3' HG22 ' B' ' 7' ' ' ILE . 21.4 tttm -64.38 -40.89 96.72 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.609 -0.723 . . . . 10.0 111.334 -179.892 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 7' ' ' ILE . . . . . 0.479 HG22 ' HZ3' ' B' ' 6' ' ' LYS . 1.1 pp -101.91 -10.68 9.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-O 120.762 0.315 . . . . 10.0 111.828 -179.221 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -85.19 -10.14 56.99 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 116.464 -0.334 . . . . 10.0 111.702 -179.037 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 9' ' ' ASN . . . . . . . . . . . . . 38.1 t30 -99.86 26.33 6.42 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.122 0.487 . . . . 10.0 111.296 -179.097 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 10' ' ' ASN . . . . . 0.492 ' OD1' ' HB2' ' B' ' 12' ' ' ARG . 5.0 t-20 -140.14 126.09 19.6 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.228 -0.442 . . . . 10.0 110.515 179.693 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 11' ' ' ILE . . . . . 0.431 HD13 ' NH2' ' B' ' 15' ' ' ARG . 11.2 pt -63.82 -26.33 40.36 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.184 0 CA-C-N 116.226 -0.443 . . . . 10.0 112.062 -179.506 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 12' ' ' ARG . . . . . 0.492 ' HB2' ' OD1' ' B' ' 10' ' ' ASN . 22.6 mmt85 -66.55 -53.59 33.1 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.501 -0.318 . . . . 10.0 111.092 -179.259 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 13' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -71.34 -38.95 71.62 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.39 -0.368 . . . . 10.0 111.753 -179.838 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 15.9 tp -60.5 -42.35 96.2 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.219 -0.446 . . . . 10.0 111.594 -179.4 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 15' ' ' ARG . . . . . 0.516 ' NH2' ' HA ' ' A' ' 72' ' ' ARG . 14.1 mtm180 -72.56 -12.11 60.93 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 111.663 0.245 . . . . 10.0 111.663 -179.213 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 16' ' ' ALA . . . . . . . . . . . . . . . -95.65 -42.55 8.34 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.211 0.529 . . . . 10.0 110.777 179.543 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 17' ' ' GLN . . . . . 0.435 ' O ' ' HG2' ' B' ' 20' ' ' GLU . 9.6 tp60 -71.96 -30.39 65.24 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.724 -0.671 . . . . 10.0 111.283 -179.54 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -76.47 0.04 21.23 Favored 'General case' 0 C--N 1.33 -0.255 0 N-CA-C 112.23 0.456 . . . . 10.0 112.23 -179.295 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 13.4 mmm180 -76.43 -15.64 59.88 Favored 'General case' 0 C--N 1.331 -0.225 0 C-N-CA 121.074 -0.25 . . . . 10.0 111.267 -179.602 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 20' ' ' GLU . . . . . 0.435 ' HG2' ' O ' ' B' ' 17' ' ' GLN . 12.9 pt-20 -90.18 7.38 38.32 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.907 0.384 . . . . 10.0 110.841 179.796 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 21' ' ' CYS . . . . . 1.396 ' SG ' ' HB ' ' B' ' 25' ' ' THR . 53.8 t -122.73 138.72 54.53 Favored 'General case' 0 CA--C 1.511 -0.548 0 CA-C-N 116.54 -0.3 . . . . 0.0 110.994 178.814 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -74.72 166.32 23.77 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 116.243 -0.435 . . . . 10.0 110.069 178.586 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 55.8 tp -55.95 -40.34 73.05 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.497 0.189 . . . . 10.0 110.823 179.76 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 24' ' ' GLU . . . . . 0.456 ' O ' ' HB2' ' B' ' 28' ' ' GLU . 0.7 OUTLIER -57.68 -51.61 68.84 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.169 -0.469 . . . . 10.0 111.268 179.681 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 25' ' ' THR . . . . . 1.396 ' HB ' ' SG ' ' B' ' 21' ' ' CYS . 0.1 OUTLIER -63.12 -36.0 82.15 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.98 -0.555 . . . . 10.0 111.327 -179.365 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 26' ' ' LEU . . . . . 0.616 ' HG ' ' HG ' ' B' ' 21' ' ' CYS . 70.0 mt -70.28 -44.17 68.94 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.557 -0.292 . . . . 10.0 111.019 -179.834 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 27' ' ' GLU . . . . . 0.58 ' OE2' ' HD3' ' C' ' 41' ' ' ARG . 96.9 mt-10 -66.9 -36.28 81.92 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.216 0.532 . . . . 10.0 109.8 179.01 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 28' ' ' GLU . . . . . 0.456 ' HB2' ' O ' ' B' ' 24' ' ' GLU . 1.2 tm-20 -61.62 -46.18 90.91 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 114.998 -1.001 . . . . 10.0 111.094 -179.876 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 29' ' ' MET . . . . . 0.441 ' HG3' ' O ' ' B' ' 26' ' ' LEU . 4.8 ppp? -77.04 -23.8 52.05 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.463 -0.335 . . . . 10.0 111.875 -179.251 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 63.2 tp -61.43 -51.62 67.98 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 120.75 0.309 . . . . 10.0 111.143 -179.741 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 15.2 mt-10 -63.71 -27.24 69.07 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.261 -0.427 . . . . 10.0 110.832 -179.873 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 45.6 mttm -64.56 -46.38 83.06 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.267 -0.424 . . . . 10.0 110.304 179.299 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 32.2 tp -75.37 -32.77 60.93 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.8 0.333 . . . . 10.0 110.492 -179.862 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -57.3 -47.56 81.18 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.978 -0.555 . . . . 10.0 110.786 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 35' ' ' VAL . . . . . . . . . . . . . 34.0 m -66.65 -33.63 64.72 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.166 0 C-N-CA 120.929 -0.309 . . . . 10.0 110.938 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 74.9 t -64.35 -53.02 48.16 Favored 'Isoleucine or valine' 0 C--O 1.232 0.16 0 CA-C-O 120.746 0.308 . . . . 10.0 110.203 179.183 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 48.1 t -62.83 -36.2 74.45 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-N 116.212 -0.449 . . . . 10.0 109.903 179.37 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 23.2 t30 -59.81 -51.56 69.22 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.903 -0.59 . . . . 10.0 110.078 178.691 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 92.3 mt-10 -60.07 -47.52 85.55 Favored 'General case' 0 CA--C 1.517 -0.291 0 CA-C-N 115.826 -0.625 . . . . 10.0 110.556 179.586 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 28.3 mmm-85 -58.62 -40.71 84.08 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.065 -0.516 . . . . 10.0 110.023 179.173 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 41' ' ' ARG . . . . . . . . . . . . . 74.1 mtt180 -58.91 -52.78 64.26 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.803 -0.635 . . . . 10.0 109.945 178.906 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 1.5 tp10 -58.17 -47.46 83.31 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.941 -0.572 . . . . 10.0 111.199 -179.662 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 61.2 mt-10 -59.6 -45.77 90.93 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.162 -0.472 . . . . 10.0 111.362 -179.363 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 47.5 mt-10 -81.71 6.72 14.44 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.927 0.394 . . . . 10.0 111.775 -179.331 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 45' ' ' SER . . . . . . . . . . . . . 71.1 m -115.16 -29.54 6.59 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.942 0.401 . . . . 10.0 109.963 178.163 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 115.887 -0.597 . . . . 10.0 110.604 179.205 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' C' C ' 3' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.176 0 CA-C-O 120.932 0.396 . . . . 10.0 110.647 . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 4' ' ' ALA . . . . . . . . . . . . . . . -63.06 -39.77 95.7 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.188 0.518 . . . . 10.0 110.669 -179.804 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 5' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -79.12 -3.67 46.62 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.854 -0.612 . . . . 10.0 110.725 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 6' ' ' LYS . . . . . . . . . . . . . 23.3 tptm -85.68 -53.86 4.89 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.236 -0.438 . . . . 10.0 110.179 179.837 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 7' ' ' ILE . . . . . . . . . . . . . 9.7 pt -68.49 -24.76 29.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-N 115.942 -0.572 . . . . 10.0 111.743 -179.703 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 8' ' ' LEU . . . . . . . . . . . . . 3.9 mp -73.96 -10.8 60.01 Favored 'General case' 0 CA--C 1.532 0.254 0 CA-C-O 120.83 0.347 . . . . 10.0 111.478 179.893 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 9' ' ' ASN . . . . . . . . . . . . . 7.0 t-20 -89.43 2.93 53.81 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.22 0.534 . . . . 10.0 109.712 179.26 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 10' ' ' ASN . . . . . 0.518 ' HB3' ' OG1' ' C' ' 13' ' ' THR . 58.2 t-20 -118.33 119.67 35.33 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.938 -0.574 . . . . 10.0 110.051 179.69 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 11' ' ' ILE . . . . . . . . . . . . . 10.0 tp -64.4 -28.34 44.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 115.904 -0.589 . . . . 10.0 111.927 -179.079 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 12' ' ' ARG . . . . . . . . . . . . . 40.3 mmt180 -65.77 -51.04 62.38 Favored 'General case' 0 C--O 1.234 0.25 0 CA-C-O 120.748 0.309 . . . . 10.0 110.797 -179.424 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 13' ' ' THR . . . . . 0.518 ' OG1' ' HB3' ' C' ' 10' ' ' ASN . 0.3 OUTLIER -71.77 -35.93 70.2 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.016 -0.538 . . . . 10.0 110.713 179.887 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' C' C ' 14' ' ' LEU . . . . . . . . . . . . . 15.7 tp -59.66 -44.82 93.41 Favored 'General case' 0 N--CA 1.456 -0.167 0 CA-C-N 115.838 -0.619 . . . . 10.0 110.638 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 15' ' ' ARG . . . . . . . . . . . . . 15.1 mtt85 -66.43 -27.97 68.24 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.5 -0.318 . . . . 10.0 111.149 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 16' ' ' ALA . . . . . . . . . . . . . . . -79.15 -48.46 14.24 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.339 -0.391 . . . . 10.0 111.369 -179.563 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 17' ' ' GLN . . . . . . . . . . . . . 50.4 tt0 -66.89 -36.82 83.16 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.26 -0.427 . . . . 10.0 111.394 -179.387 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 18' ' ' ALA . . . . . . . . . . . . . . . -67.72 -20.93 65.32 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.857 0.36 . . . . 10.0 111.527 -179.834 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 19' ' ' ARG . . . . . . . . . . . . . 53.0 mtt180 -80.74 -1.69 43.82 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.842 0.354 . . . . 10.0 111.237 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 20' ' ' GLU . . . . . . . . . . . . . 24.9 mt-10 -96.14 18.14 14.21 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.102 0.477 . . . . 10.0 110.687 179.9 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 21' ' ' CYS . . . . . . . . . . . . . 29.5 p -153.57 162.64 41.07 Favored 'General case' 0 C--N 1.318 -0.777 0 C-N-CA 123.533 0.733 . . . . 0.0 110.939 178.868 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 22' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -79.89 166.71 21.39 Favored 'General case' 0 C--N 1.318 -0.778 0 O-C-N 123.832 0.707 . . . . 10.0 111.083 179.254 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 46.1 tp -60.47 -37.22 80.32 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.053 -0.521 . . . . 10.0 110.405 -179.833 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 24' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -52.59 -50.6 62.69 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.159 -0.928 . . . . 10.0 112.007 -179.881 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 25' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -67.78 -37.45 82.08 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.865 0.364 . . . . 10.0 111.371 -179.282 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 26' ' ' LEU . . . . . . . . . . . . . 46.1 mt -69.1 -29.42 67.5 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.086 0.469 . . . . 10.0 110.781 -179.847 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 27' ' ' GLU . . . . . . . . . . . . . 5.7 tt0 -68.24 -55.75 11.13 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.638 -0.71 . . . . 10.0 111.648 -179.336 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 28' ' ' GLU . . . . . . . . . . . . . 5.4 tt0 -65.79 -16.92 64.24 Favored 'General case' 0 N--CA 1.464 0.241 0 CA-C-O 120.723 0.297 . . . . 10.0 111.42 -178.814 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 29' ' ' MET . . . . . . . . . . . . . 3.4 ptp -87.69 -24.58 23.83 Favored 'General case' 0 C--N 1.326 -0.436 0 C-N-CA 120.315 -0.554 . . . . 10.0 109.993 178.819 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 30' ' ' LEU . . . . . . . . . . . . . 15.0 tp -75.86 -47.28 26.17 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.315 -0.402 . . . . 10.0 110.354 179.733 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 31' ' ' GLU . . . . . . . . . . . . . 7.7 pt-20 -57.9 -37.43 74.01 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.961 -0.563 . . . . 10.0 110.891 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 32' ' ' LYS . . . . . 0.587 ' O ' HG22 ' C' ' 36' ' ' VAL . 86.0 mttt -74.73 -28.06 60.63 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.281 -0.418 . . . . 10.0 111.183 179.893 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 33' ' ' LEU . . . . . . . . . . . . . 32.2 tp -77.85 -47.57 18.49 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 111.752 0.279 . . . . 10.0 111.752 -179.163 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 34' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -60.35 -35.13 74.95 Favored 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 112.158 0.429 . . . . 10.0 112.158 -178.421 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 35' ' ' VAL . . . . . 0.432 HG21 ' HB3' ' A' ' 68' ' ' TRP . 33.8 m -72.77 -33.51 44.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 C-N-CA 120.946 -0.301 . . . . 10.0 111.512 -179.852 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 36' ' ' VAL . . . . . 0.587 HG22 ' O ' ' C' ' 32' ' ' LYS . 59.7 t -63.12 -40.64 89.79 Favored 'Isoleucine or valine' 0 C--O 1.233 0.2 0 N-CA-C 108.851 -0.796 . . . . 10.0 108.851 178.621 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 37' ' ' VAL . . . . . . . . . . . . . 44.9 t -67.93 -39.06 81.03 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 115.391 -0.822 . . . . 10.0 109.218 178.326 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 38' ' ' ASN . . . . . 0.588 ' O ' ' HB2' ' C' ' 41' ' ' ARG . 4.6 t-20 -63.57 -39.3 94.04 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.662 -0.699 . . . . 10.0 110.717 179.857 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 39' ' ' GLU . . . . . 0.516 ' OE1' ' HD3' ' B' ' 15' ' ' ARG . 37.8 mt-10 -66.66 -39.76 88.34 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.057 0.456 . . . . 10.0 110.058 179.159 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 40' ' ' ARG . . . . . . . . . . . . . 10.3 mmm180 -65.61 -25.63 67.47 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.998 -0.546 . . . . 10.0 109.567 178.615 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 41' ' ' ARG . . . . . 0.588 ' HB2' ' O ' ' C' ' 38' ' ' ASN . 5.2 mmm-85 -64.7 -60.55 2.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.191 -0.913 . . . . 10.0 110.58 179.7 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 42' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -59.49 -33.78 71.76 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.206 0.527 . . . . 10.0 110.312 179.76 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 43' ' ' GLU . . . . . . . . . . . . . 30.9 tt0 -62.0 -45.66 92.65 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.603 -0.726 . . . . 10.0 110.576 179.39 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 44' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -79.99 -20.42 45.52 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.128 -0.487 . . . . 10.0 111.117 -179.557 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 45' ' ' SER . . . . . . . . . . . . . 50.5 m -77.05 -25.54 52.6 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.454 -0.339 . . . . 10.0 111.203 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 46' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.426 0 CA-C-O 121.275 0.559 . . . . 10.0 110.556 179.955 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.515 ' HB2' ' CZ ' ' A' ' 11' ' ' TYR . 18.1 mt . . . . . 0 N--CA 1.479 0.997 0 CA-C-O 120.821 0.343 . . . . 10.0 110.315 . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -68.77 155.23 40.54 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.944 -0.571 . . . . 10.0 111.116 179.799 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 24.9 tttt -58.36 -40.17 81.54 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.099 -0.5 . . . . 10.0 110.94 -179.902 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -69.44 -28.29 65.99 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.916 -0.584 . . . . 10.0 111.618 179.624 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -64.14 -50.44 68.22 Favored 'General case' 0 N--CA 1.464 0.246 0 CA-C-O 121.044 0.449 . . . . 10.0 110.857 -179.606 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . 0.515 ' CZ ' ' HB2' ' A' ' 6' ' ' LEU . 46.6 m-85 -65.13 -35.72 81.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.801 -0.636 . . . . 10.0 109.862 179.642 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 60.9 tp -59.88 -42.72 94.4 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.798 -0.637 . . . . 10.0 110.752 179.471 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 84.2 mmm -67.57 -39.85 84.89 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.233 -0.439 . . . . 10.0 110.86 -179.889 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.33 -37.69 83.71 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.023 0.44 . . . . 10.0 110.52 179.591 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 97.8 mt -78.23 -15.72 58.52 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.306 -0.407 . . . . 10.0 111.257 -179.413 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.499 ' HA ' ' NE ' ' A' ' 50' ' ' ARG . 55.3 mtt180 -77.1 -6.94 54.74 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.143 0.497 . . . . 10.0 110.318 179.243 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 11.2 mmm-85 -84.41 -13.44 52.18 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.726 -0.67 . . . . 10.0 109.209 178.477 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 6.2 m -90.12 138.63 31.36 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.322 -0.854 . . . . 10.0 110.066 179.432 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 3.8 mm-40 -130.28 178.27 6.71 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.438 -0.347 . . . . 10.0 110.477 -179.435 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER 64.0 0.32 0.95 Allowed 'General case' 0 N--CA 1.47 0.54 0 N-CA-C 113.172 0.804 . . . . 10.0 113.172 178.671 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 68.3 mt 71.79 -43.54 0.13 Allowed 'Isoleucine or valine' 0 N--CA 1.471 0.588 0 C-N-CA 122.964 0.506 . . . . 10.0 111.414 -179.337 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 8.1 t70 -53.86 -47.86 70.59 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 111.858 0.318 . . . . 10.0 111.858 -179.821 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -59.45 -39.82 84.83 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.993 0.425 . . . . 10.0 110.347 179.562 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.52 ' O ' HG12 ' A' ' 28' ' ' ILE . 24.9 tp -66.65 -44.48 81.8 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.74 -0.664 . . . . 10.0 109.797 179.508 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 8.1 tp10 -56.79 -41.34 77.54 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.531 -0.758 . . . . 10.0 111.305 179.887 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 3.3 mtt180 -79.29 -38.11 36.17 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.946 -0.57 . . . . 10.0 112.257 -178.871 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.436 HG11 ' O ' ' A' ' 24' ' ' LEU . 4.4 p -69.1 -34.91 66.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 N-CA-C 112.146 0.424 . . . . 10.0 112.146 -178.519 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . 0.52 HG12 ' O ' ' A' ' 24' ' ' LEU . 45.8 pt -74.84 -25.81 19.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-O 121.052 0.453 . . . . 10.0 110.564 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 19.3 tp10 -79.17 -45.01 20.77 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.054 -0.521 . . . . 10.0 110.811 179.67 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 33.0 tttp -69.52 -44.46 70.95 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.301 -0.409 . . . . 10.0 111.547 -178.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 7.9 t30 -70.8 -12.25 61.44 Favored 'General case' 0 N--CA 1.464 0.241 0 CA-C-N 116.238 -0.437 . . . . 10.0 111.481 -178.737 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 38.6 ttmt -59.2 -46.05 89.47 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.196 -0.457 . . . . 10.0 111.725 -179.633 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -83.96 -8.18 59.23 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.272 -0.422 . . . . 10.0 111.299 -178.694 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 79.5 mt-10 -99.19 3.43 46.44 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 116.252 -0.431 . . . . 10.0 111.53 -179.151 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 40.2 mt -92.3 171.2 9.22 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.012 -0.54 . . . . 10.0 110.312 178.933 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -93.21 1.2 57.18 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 116.334 -0.394 . . . . 10.0 110.39 -179.663 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 97.2 m-20 73.9 -1.61 3.02 Favored 'General case' 0 C--O 1.252 1.213 0 C-N-CA 124.874 1.27 . . . . 0.0 111.049 179.11 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 27.3 t-20 -97.47 -39.9 8.94 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-O 121.458 0.647 . . . . 10.0 109.409 179.423 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -84.42 -5.66 59.3 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 114.873 -1.058 . . . . 10.0 109.941 179.598 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 48.8 tp -60.43 -28.87 68.61 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.616 -0.72 . . . . 10.0 110.577 179.619 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -62.1 -55.08 32.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.86 -0.609 . . . . 10.0 111.042 -179.864 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 11.8 m -73.96 -23.4 18.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.392 -0.367 . . . . 10.0 111.293 -179.598 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 52.3 t80 -64.99 -40.35 94.83 Favored 'General case' 0 C--O 1.235 0.316 0 CA-C-N 116.392 -0.367 . . . . 10.0 110.065 179.504 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 3.0 m-85 -61.81 -47.24 85.97 Favored 'General case' 0 CA--C 1.52 -0.211 0 CA-C-N 116.003 -0.544 . . . . 10.0 110.259 179.299 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 23.0 m -60.14 -38.05 81.92 Favored 'General case' 0 C--O 1.237 0.43 0 CA-C-N 115.816 -0.629 . . . . 10.0 111.634 179.867 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -67.49 -43.05 81.86 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.033 -0.531 . . . . 10.0 110.42 179.865 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -66.13 -44.85 83.04 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.928 -0.578 . . . . 10.0 110.377 179.337 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 48.7 m-20 -58.65 -42.69 88.96 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.683 -0.689 . . . . 10.0 110.155 179.287 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 5.1 t60 -63.35 -47.61 81.44 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.79 -0.641 . . . . 10.0 110.342 179.72 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . 0.499 ' NE ' ' HA ' ' A' ' 16' ' ' ARG . 30.5 tpt180 -62.85 -38.2 89.85 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.615 -0.72 . . . . 10.0 111.082 -179.458 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 32.3 tp -69.78 -42.28 74.0 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.519 -0.31 . . . . 10.0 110.782 -179.813 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -59.83 -49.4 77.84 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 112.101 0.408 . . . . 10.0 112.101 -179.724 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 16.5 pt-20 -67.0 -33.38 75.44 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.71 0.29 . . . . 10.0 111.266 -179.376 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 8.1 tp -72.97 -35.62 66.96 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.964 0.411 . . . . 10.0 111.02 -179.585 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 48.2 m -66.08 -31.73 72.78 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.311 -0.404 . . . . 10.0 111.315 -179.611 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 79.2 mmm -98.24 -3.71 36.85 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.725 -0.216 . . . . 10.0 111.169 179.66 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 63.5 t30 57.99 44.07 20.17 Favored 'General case' 0 N--CA 1.464 0.257 0 CA-C-O 121.608 0.718 . . . . 10.0 110.628 -179.834 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 15.6 tptp -158.82 116.85 2.89 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.808 -0.633 . . . . 10.0 110.289 -179.818 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 5.4 mp -71.37 125.36 26.79 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.978 0.418 . . . . 10.0 110.642 -179.76 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 27.6 m-85 -130.16 139.34 50.88 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.74 -0.664 . . . . 10.0 110.598 -179.699 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 64.4 m-20 -70.19 -33.76 72.11 Favored 'General case' 0 C--N 1.331 -0.239 0 N-CA-C 109.35 -0.611 . . . . 10.0 109.35 178.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -114.45 157.55 22.76 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 108.689 -0.856 . . . . 10.0 108.689 178.443 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.437 HG22 ' CZ2' ' A' ' 68' ' ' TRP . 47.6 mm -117.54 125.28 28.22 Favored Pre-proline 0 C--N 1.32 -0.703 0 C-N-CA 120.596 -0.442 . . . . 10.0 111.398 -179.237 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 19.6 Cg_exo -65.51 131.34 27.63 Favored 'Trans proline' 0 C--N 1.347 0.494 0 C-N-CA 122.588 2.192 . . . . 10.0 111.689 178.555 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -55.89 -31.74 63.1 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 112.669 0.618 . . . . 10.0 112.669 -179.038 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 96.3 p -84.31 0.58 48.56 Favored 'General case' 0 C--O 1.257 1.489 0 O-C-N 121.737 -0.602 . . . . 0.0 111.008 -177.216 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -90.74 -18.56 7.47 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.011 0 CA-C-N 119.545 1.066 . . . . 10.0 111.143 -179.005 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' TRP . . . . . 0.437 ' CZ2' HG22 ' A' ' 63' ' ' ILE . 86.3 m95 -65.42 -18.32 65.23 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.931 0.396 . . . . 10.0 111.576 -179.049 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 12.4 tptp -68.48 -22.1 64.57 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.348 -0.387 . . . . 10.0 110.743 179.7 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 91.2 m-85 -88.43 -5.26 58.37 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.346 -0.388 . . . . 10.0 110.727 179.836 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 1.6 mp -84.74 129.31 37.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-N 115.93 -0.577 . . . . 10.0 109.736 179.55 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 50.9 mtp180 . . . . . 0 C--O 1.248 1.019 0 CA-C-O 118.408 -0.806 . . . . 10.0 110.431 -179.597 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 CA--C 1.529 0.135 0 CA-C-O 120.794 0.33 . . . . 10.0 110.585 . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . -62.78 -41.13 99.1 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.124 -0.489 . . . . 10.0 110.939 179.777 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 10.4 mp -71.61 -14.3 62.02 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.983 -0.553 . . . . 10.0 110.938 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 36.3 ttmt -79.73 -39.73 30.45 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.274 -0.421 . . . . 10.0 110.497 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 7' ' ' ILE . . . . . . . . . . . . . 31.6 pt -86.62 -21.48 7.38 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.185 0 CA-C-N 116.161 -0.472 . . . . 10.0 111.038 -179.52 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 1.2 tp -82.15 -6.77 59.44 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.168 -0.469 . . . . 10.0 110.674 -179.851 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 9' ' ' ASN . . . . . . . . . . . . . 55.3 t30 -73.82 -33.47 64.17 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.895 -0.593 . . . . 10.0 111.343 -179.468 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 10' ' ' ASN . . . . . . . . . . . . . 14.3 t-20 -99.83 140.77 33.56 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.223 0.535 . . . . 10.0 111.452 -179.321 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 74.5 mt -68.41 -33.82 62.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 115.601 -0.727 . . . . 10.0 112.387 -178.609 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 12' ' ' ARG . . . . . . . . . . . . . 97.6 mtt180 -65.68 -37.84 87.61 Favored 'General case' 0 N--CA 1.465 0.325 0 N-CA-C 111.756 0.28 . . . . 10.0 111.756 -178.671 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 13' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -76.28 -35.09 59.07 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 120.977 0.418 . . . . 10.0 110.534 179.456 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 24.2 tp -69.65 -41.45 75.55 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.697 -0.683 . . . . 10.0 111.187 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 30.1 mtt180 -53.41 -40.43 65.12 Favored 'General case' 0 N--CA 1.467 0.41 0 CA-C-N 116.311 -0.404 . . . . 10.0 111.753 -179.768 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 16' ' ' ALA . . . . . . . . . . . . . . . -62.54 -51.9 65.55 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 112.493 0.553 . . . . 10.0 112.493 -178.686 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 17' ' ' GLN . . . . . 0.594 ' O ' ' HG2' ' B' ' 20' ' ' GLU . 0.0 OUTLIER -71.58 -19.63 62.11 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 121.456 0.646 . . . . 10.0 111.22 -179.271 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -74.63 -10.08 59.19 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.316 -0.402 . . . . 10.0 111.327 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 15.5 mmm180 -83.92 -18.09 38.52 Favored 'General case' 0 C--N 1.328 -0.334 0 C-N-CA 121.231 -0.188 . . . . 10.0 111.188 -179.736 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 20' ' ' GLU . . . . . 0.594 ' HG2' ' O ' ' B' ' 17' ' ' GLN . 10.7 pt-20 -95.27 -14.2 24.2 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.176 0.512 . . . . 10.0 110.704 179.707 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 21' ' ' CYS . . . . . . . . . . . . . 76.8 m -95.15 132.48 40.04 Favored 'General case' 0 CA--C 1.511 -0.53 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.949 178.144 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -63.63 153.34 36.28 Favored 'General case' 0 C--N 1.314 -0.943 0 O-C-N 123.853 0.721 . . . . 10.0 110.934 179.477 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 47.0 tp -55.45 -41.97 73.61 Favored 'General case' 0 N--CA 1.461 0.121 0 N-CA-C 109.733 -0.469 . . . . 10.0 109.733 179.498 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -55.63 -50.03 71.27 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 115.53 -0.759 . . . . 10.0 110.542 178.609 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -62.86 -42.59 99.81 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.635 -0.711 . . . . 10.0 111.604 -179.633 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 69.1 mt -61.24 -44.27 97.53 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.314 -0.403 . . . . 10.0 111.111 -179.579 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 27' ' ' GLU . . . . . 0.405 ' OE2' ' HD3' ' C' ' 41' ' ' ARG . 51.1 mt-10 -69.6 -40.63 76.56 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.036 0.446 . . . . 10.0 109.938 179.189 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 28' ' ' GLU . . . . . 0.514 ' O ' ' HG3' ' B' ' 32' ' ' LYS . 0.6 OUTLIER -60.78 -44.87 96.23 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.732 -0.667 . . . . 10.0 111.227 -179.784 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 29' ' ' MET . . . . . . . . . . . . . 5.5 ppp? -75.8 -28.27 58.28 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.603 -0.271 . . . . 10.0 111.218 -179.34 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 35.6 tp -58.13 -47.39 83.45 Favored 'General case' 0 C--O 1.233 0.193 0 CA-C-O 120.946 0.403 . . . . 10.0 110.457 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 23.7 mt-10 -64.72 -34.91 79.43 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.753 -0.658 . . . . 10.0 110.808 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 32' ' ' LYS . . . . . 0.514 ' HG3' ' O ' ' B' ' 28' ' ' GLU . 43.1 mttm -64.74 -44.61 89.57 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.063 -0.517 . . . . 10.0 110.974 -179.615 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 52.4 tp -70.41 -37.06 74.39 Favored 'General case' 0 C--N 1.324 -0.502 0 C-N-CA 120.585 -0.446 . . . . 10.0 109.989 179.22 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 8.9 tt0 -60.94 -47.54 85.97 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.905 -0.589 . . . . 10.0 111.416 -179.649 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 35' ' ' VAL . . . . . . . . . . . . . 27.4 m -63.21 -32.16 55.35 Favored 'Isoleucine or valine' 0 C--O 1.233 0.199 0 C-N-CA 120.892 -0.323 . . . . 10.0 111.732 -179.253 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 59.4 t -69.66 -41.48 80.17 Favored 'Isoleucine or valine' 0 C--O 1.233 0.193 0 N-CA-C 109.213 -0.662 . . . . 10.0 109.213 178.599 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 69.9 t -65.82 -38.96 83.41 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.227 0 N-CA-C 108.742 -0.836 . . . . 10.0 108.742 178.145 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 22.0 t30 -62.15 -43.47 98.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.447 -0.797 . . . . 10.0 109.757 178.276 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 39' ' ' GLU . . . . . 0.59 ' O ' ' HG3' ' B' ' 43' ' ' GLU . 18.2 mt-10 -59.16 -51.05 71.67 Favored 'General case' 0 N--CA 1.453 -0.317 0 CA-C-N 115.605 -0.725 . . . . 10.0 109.625 178.364 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 13.5 mmm-85 -60.69 -38.73 85.95 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 115.863 -0.608 . . . . 10.0 110.899 179.326 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 41' ' ' ARG . . . . . . . . . . . . . 91.8 mtt180 -57.42 -47.04 82.8 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.22 -0.446 . . . . 10.0 110.076 179.048 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 5.6 tp10 -60.8 -45.41 94.52 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.882 -0.599 . . . . 10.0 110.954 -179.924 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 43' ' ' GLU . . . . . 0.59 ' HG3' ' O ' ' B' ' 39' ' ' GLU . 19.2 mt-10 -65.02 -36.01 83.0 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.411 -0.359 . . . . 10.0 110.664 -179.877 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -67.05 -38.79 86.47 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.13 -0.486 . . . . 10.0 111.076 -179.91 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 45' ' ' SER . . . . . . . . . . . . . 2.5 p -81.33 -24.38 37.17 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 111.712 0.264 . . . . 10.0 111.712 179.885 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.327 -0.376 0 CA-C-O 120.815 0.34 . . . . 10.0 111.353 -179.491 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' C' C ' 3' ' ' GLU . . . . . 0.513 ' CD ' ' H ' ' C' ' 3' ' ' GLU . 1.2 mp0 . . . . . 0 C--O 1.233 0.203 0 N-CA-C 112.112 0.412 . . . . 10.0 112.112 . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 4' ' ' ALA . . . . . . . . . . . . . . . -57.53 -45.75 84.68 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.892 -0.595 . . . . 10.0 112.341 -178.932 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 5' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -80.97 -15.56 55.88 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 112.233 0.457 . . . . 10.0 112.233 -178.568 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 6' ' ' LYS . . . . . . . . . . . . . 84.1 tttt -70.48 -34.58 72.54 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 111.898 0.333 . . . . 10.0 111.898 -178.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 7' ' ' ILE . . . . . . . . . . . . . 49.6 pt -73.31 -6.87 8.84 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 C-N-CA 121.043 -0.263 . . . . 10.0 111.447 -179.174 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 8' ' ' LEU . . . . . . . . . . . . . 2.6 mp -88.67 -7.26 56.64 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.881 0.372 . . . . 10.0 110.531 179.785 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 9' ' ' ASN . . . . . . . . . . . . . 23.4 t-20 -79.17 -30.44 43.49 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.103 -0.499 . . . . 10.0 110.062 179.702 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 10' ' ' ASN . . . . . 0.417 HD22 ' HB2' ' C' ' 12' ' ' ARG . 29.2 t30 -90.25 117.66 29.16 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.568 -0.742 . . . . 10.0 109.341 179.156 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 11' ' ' ILE . . . . . . . . . . . . . 8.4 tp -62.97 -25.6 38.93 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 116.291 -0.413 . . . . 10.0 111.651 -178.877 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 12' ' ' ARG . . . . . 0.417 ' HB2' HD22 ' C' ' 10' ' ' ASN . 33.9 mmt180 -65.53 -45.69 82.47 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.584 0.23 . . . . 10.0 110.746 -179.671 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 13' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -75.35 -38.25 60.2 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.843 0.354 . . . . 10.0 110.484 179.759 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 14' ' ' LEU . . . . . . . . . . . . . 34.1 tp -62.2 -47.69 83.32 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.823 -0.626 . . . . 10.0 110.735 179.863 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 15' ' ' ARG . . . . . . . . . . . . . 30.1 ttm105 -63.61 -30.22 71.36 Favored 'General case' 0 C--O 1.235 0.29 0 CA-C-N 116.139 -0.482 . . . . 10.0 111.026 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 16' ' ' ALA . . . . . . . . . . . . . . . -80.98 -40.68 23.99 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.349 -0.387 . . . . 10.0 111.043 -179.786 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 17' ' ' GLN . . . . . 0.432 ' O ' ' HB2' ' C' ' 20' ' ' GLU . 4.0 tp60 -67.24 -30.59 70.54 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.003 -0.544 . . . . 10.0 110.517 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 18' ' ' ALA . . . . . . . . . . . . . . . -66.85 -18.23 65.27 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.396 -0.365 . . . . 10.0 111.742 -179.776 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 19' ' ' ARG . . . . . . . . . . . . . 89.2 mtt-85 -78.6 -5.6 53.29 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 120.836 0.351 . . . . 10.0 110.797 -179.807 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 20' ' ' GLU . . . . . 0.432 ' HB2' ' O ' ' C' ' 17' ' ' GLN . 0.4 OUTLIER -76.5 -22.67 54.15 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.068 -0.514 . . . . 10.0 111.485 -179.622 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' C' C ' 21' ' ' CYS . . . . . . . . . . . . . 73.2 m -131.24 166.66 20.68 Favored 'General case' 0 CA--C 1.511 -0.554 0 CA-C-O 122.276 1.036 . . . . 0.0 111.006 -179.472 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 22' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -78.12 160.75 27.86 Favored 'General case' 0 C--O 1.239 0.533 0 CA-C-N 114.58 -1.191 . . . . 10.0 111.048 179.111 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 53.2 tp -56.32 -37.25 69.67 Favored 'General case' 0 C--O 1.225 -0.226 0 O-C-N 123.26 0.35 . . . . 10.0 111.471 -179.369 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 24' ' ' GLU . . . . . . . . . . . . . 7.3 tt0 -52.84 -51.73 59.83 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.978 0.418 . . . . 10.0 110.457 179.538 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 25' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -66.6 -41.38 88.54 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.862 -0.608 . . . . 10.0 111.201 179.409 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 26' ' ' LEU . . . . . . . . . . . . . 87.0 mt -61.58 -45.74 92.84 Favored 'General case' 0 N--CA 1.465 0.289 0 CA-C-O 120.949 0.404 . . . . 10.0 111.132 -179.665 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 27' ' ' GLU . . . . . 0.444 ' O ' ' HG3' ' C' ' 31' ' ' GLU . 21.3 tt0 -68.87 -41.31 78.58 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 116.377 -0.374 . . . . 10.0 110.369 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 28' ' ' GLU . . . . . 0.525 ' O ' ' HG2' ' C' ' 32' ' ' LYS . 33.3 tt0 -58.37 -47.18 84.65 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.061 -0.518 . . . . 10.0 110.891 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 29' ' ' MET . . . . . . . . . . . . . 21.9 ptp -70.91 -27.36 63.73 Favored 'General case' 0 C--N 1.332 -0.187 0 C-N-CA 120.993 -0.283 . . . . 10.0 110.963 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 30' ' ' LEU . . . . . . . . . . . . . 23.5 tp -66.0 -40.37 91.08 Favored 'General case' 0 C--N 1.332 -0.169 0 N-CA-C 109.696 -0.483 . . . . 10.0 109.696 179.015 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 31' ' ' GLU . . . . . 0.444 ' HG3' ' O ' ' C' ' 27' ' ' GLU . 46.4 mt-10 -63.45 -27.18 69.11 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.631 -0.713 . . . . 10.0 110.675 179.52 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 32' ' ' LYS . . . . . 0.525 ' HG2' ' O ' ' C' ' 28' ' ' GLU . 23.3 mmtp -77.16 -32.86 56.54 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.933 -0.576 . . . . 10.0 110.094 179.725 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 33' ' ' LEU . . . . . . . . . . . . . 18.4 tp -76.62 -43.88 36.51 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.865 -0.607 . . . . 10.0 112.176 -178.718 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 34' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -59.93 -40.56 89.34 Favored 'General case' 0 C--N 1.33 -0.271 0 N-CA-C 112.276 0.473 . . . . 10.0 112.276 -178.171 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 35' ' ' VAL . . . . . . . . . . . . . 19.2 m -70.14 -27.99 34.34 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.2 0 C-N-CA 120.639 -0.424 . . . . 10.0 111.063 -179.872 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 36' ' ' VAL . . . . . . . . . . . . . 19.5 t -67.62 -41.2 85.38 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 N-CA-C 109.187 -0.671 . . . . 10.0 109.187 178.662 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 37' ' ' VAL . . . . . . . . . . . . . 79.1 t -64.05 -35.59 74.11 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.36 0 CA-C-N 115.739 -0.664 . . . . 10.0 109.471 178.486 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 38' ' ' ASN . . . . . . . . . . . . . 1.6 t30 -59.66 -48.64 80.88 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 115.967 -0.561 . . . . 10.0 110.235 179.826 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 39' ' ' GLU . . . . . . . . . . . . . 17.0 mt-10 -58.89 -44.84 91.26 Favored 'General case' 0 C--O 1.233 0.218 0 CA-C-N 116.019 -0.537 . . . . 10.0 110.366 179.496 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 40' ' ' ARG . . . . . 0.423 ' HA ' HH11 ' C' ' 40' ' ' ARG . 7.5 mmm180 -60.86 -38.28 85.04 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.655 -0.702 . . . . 10.0 110.3 179.825 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 41' ' ' ARG . . . . . 0.405 ' HD3' ' OE2' ' B' ' 27' ' ' GLU . 11.3 mmm180 -64.65 -44.31 90.87 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.854 -0.612 . . . . 10.0 110.041 179.128 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 42' ' ' GLU . . . . . . . . . . . . . 54.6 mt-10 -57.75 -42.94 85.01 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.664 -0.698 . . . . 10.0 111.055 -179.794 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 43' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -61.76 -53.03 61.57 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.302 0.573 . . . . 10.0 111.738 -179.845 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 44' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -68.45 -24.28 64.7 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.752 -0.658 . . . . 10.0 112.394 -178.225 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 45' ' ' SER . . . . . . . . . . . . . 68.9 m -73.34 -23.92 60.29 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.142 0.496 . . . . 10.0 110.343 179.216 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 46' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 115.953 -0.567 . . . . 10.0 110.665 179.416 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 12.0 tp . . . . . 0 N--CA 1.475 0.823 0 N-CA-C 109.716 -0.475 . . . . 10.0 109.716 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -103.61 171.84 7.14 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.095 0.474 . . . . 10.0 111.589 -179.073 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 43.6 mttt -67.71 -37.2 81.92 Favored 'General case' 0 C--O 1.224 -0.249 0 CA-C-N 115.665 -0.698 . . . . 10.0 110.304 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -59.69 -35.07 73.75 Favored 'General case' 0 C--O 1.236 0.384 0 CA-C-N 115.855 -0.611 . . . . 10.0 112.319 -178.958 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 28.0 m-20 -65.56 -32.4 73.96 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.02 -0.536 . . . . 10.0 110.279 -179.773 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 55.4 m-85 -88.76 -31.4 18.42 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.123 -0.489 . . . . 10.0 109.907 179.15 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 67.3 tp -58.63 -49.54 77.14 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.712 -0.676 . . . . 10.0 110.909 -179.918 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 78.0 mmm -62.19 -23.55 66.68 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.951 0.405 . . . . 10.0 111.102 -179.357 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.71 -38.97 32.26 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.125 -0.489 . . . . 10.0 109.961 179.389 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 74.9 mt -82.14 -18.56 42.45 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.77 -0.65 . . . . 10.0 111.187 -179.538 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.458 ' HA ' ' CZ ' ' A' ' 50' ' ' ARG . 27.0 mtt180 -69.69 -11.7 61.05 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.328 -0.397 . . . . 10.0 110.984 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 80.8 mtm-85 -87.87 -6.16 58.23 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.274 -0.421 . . . . 10.0 110.186 178.84 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 39.5 m -98.54 132.71 43.74 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.998 -0.546 . . . . 10.0 109.928 179.152 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -127.92 -175.37 3.46 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.457 -0.338 . . . . 10.0 110.909 -179.331 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 1.2 m 70.68 -2.3 2.3 Favored 'General case' 0 CA--C 1.534 0.349 0 C-N-CA 123.353 0.661 . . . . 10.0 112.552 178.499 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 84.1 mt 72.23 -55.59 0.28 Allowed 'Isoleucine or valine' 0 N--CA 1.472 0.668 0 C-N-CA 122.962 0.505 . . . . 10.0 111.468 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 32.2 t70 -56.41 -41.91 77.11 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.211 -0.449 . . . . 10.0 111.203 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 8.1 m -60.99 -34.9 75.52 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.182 0.515 . . . . 10.0 110.218 179.058 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.492 ' O ' HG11 ' A' ' 27' ' ' VAL . 20.4 tp -70.76 -36.31 73.05 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.612 -0.722 . . . . 10.0 109.897 179.369 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 2.1 tp10 -66.89 -31.09 71.46 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.148 0.499 . . . . 10.0 110.242 179.865 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 58.3 mtt180 -73.91 -41.46 62.07 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.795 -0.639 . . . . 10.0 111.318 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.492 HG11 ' O ' ' A' ' 24' ' ' LEU . 13.0 p -68.84 -42.39 82.63 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.333 0 CA-C-N 116.644 -0.253 . . . . 10.0 111.632 -178.921 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 46.2 pt -68.08 -30.95 49.79 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 O-C-N 122.161 -0.337 . . . . 10.0 111.18 -179.487 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 9.6 tp10 -67.81 -54.19 21.09 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.276 -0.42 . . . . 10.0 110.264 179.645 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 29.1 tttp -64.96 -32.34 74.02 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.099 -0.501 . . . . 10.0 111.029 -179.795 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . 0.445 ' HB2' ' O ' ' A' ' 27' ' ' VAL . 0.7 OUTLIER -66.86 -34.56 78.07 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.974 -0.557 . . . . 10.0 111.623 -179.532 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 3.6 mtmp? -61.21 -32.88 72.65 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 112.061 0.393 . . . . 10.0 112.061 -178.855 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 10.0 m-85 -82.02 -3.84 55.42 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.801 0.334 . . . . 10.0 111.046 -179.217 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 4.9 tt0 -112.32 -14.99 13.25 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 121.012 0.434 . . . . 10.0 110.963 -179.324 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 61.9 mt -79.01 163.69 24.99 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.216 -0.447 . . . . 10.0 110.572 -179.777 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' SER . . . . . 0.49 ' O ' ' HB2' ' A' ' 37' ' ' ASP . 0.7 OUTLIER -95.94 -1.68 48.66 Favored 'General case' 0 C--N 1.321 -0.645 0 N-CA-C 109.537 -0.542 . . . . 10.0 109.537 179.789 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . 0.49 ' HB2' ' O ' ' A' ' 36' ' ' SER . 97.1 m-20 80.57 -10.37 1.26 Allowed 'General case' 0 C--O 1.248 1.016 0 C-N-CA 125.044 1.338 . . . . 0.0 111.012 178.943 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . 0.427 ' OD1' ' HB2' ' A' ' 36' ' ' SER . 2.3 p-10 -85.88 -29.31 23.78 Favored 'General case' 0 C--N 1.332 -0.18 0 O-C-N 120.917 -1.114 . . . . 10.0 109.777 178.377 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -89.5 -5.53 57.21 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.671 -0.695 . . . . 10.0 109.639 179.634 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 21.2 tp -64.1 -23.03 67.17 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.406 -0.815 . . . . 10.0 110.924 -179.649 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -64.13 -49.61 71.46 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.234 -0.439 . . . . 10.0 111.138 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 2.8 m -80.19 -22.93 11.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.406 -0.361 . . . . 10.0 111.128 -179.806 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 53.8 t80 -72.5 -37.0 68.53 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.028 -0.533 . . . . 10.0 110.203 179.66 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -58.77 -51.73 68.75 Favored 'General case' 0 CA--C 1.52 -0.183 0 CA-C-N 116.298 -0.41 . . . . 10.0 110.867 179.813 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 13.0 m -59.87 -35.99 75.96 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.414 -0.357 . . . . 10.0 111.102 179.687 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -65.26 -46.73 79.32 Favored 'General case' 0 C--O 1.234 0.283 0 CA-C-N 116.308 -0.405 . . . . 10.0 110.266 179.321 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -66.39 -43.01 87.05 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.186 -0.461 . . . . 10.0 110.097 179.215 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -58.8 -46.71 86.96 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.769 -0.65 . . . . 10.0 110.121 179.469 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 5.9 t60 -63.34 -46.05 88.41 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.713 -0.676 . . . . 10.0 110.352 179.451 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . 0.458 ' CZ ' ' HA ' ' A' ' 16' ' ' ARG . 31.0 tpt180 -64.72 -39.85 94.35 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.969 -0.559 . . . . 10.0 111.462 -179.209 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 36.7 tp -61.83 -42.22 98.76 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.62 0.248 . . . . 10.0 110.626 -179.751 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . 0.417 ' HA ' HD13 ' A' ' 71' ' ' ILE . . . -60.03 -49.33 78.09 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.236 -0.438 . . . . 10.0 111.914 -179.745 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -74.44 -29.73 61.6 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.486 -0.324 . . . . 10.0 111.662 -178.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 15.8 tp -73.51 -40.81 63.77 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 120.504 0.192 . . . . 10.0 111.398 -179.335 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 23.6 m -64.31 -34.45 78.16 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.974 0.416 . . . . 10.0 110.592 179.735 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 88.2 mmm -84.98 -12.9 52.24 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.918 -0.583 . . . . 10.0 110.351 179.165 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 49.7 t30 62.21 38.03 13.8 Favored 'General case' 0 C--O 1.233 0.199 0 CA-C-N 115.491 -0.777 . . . . 10.0 110.88 -179.521 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 22.6 tptp -150.88 121.1 7.25 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.758 -0.655 . . . . 10.0 109.744 -179.911 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 6.3 mp -66.14 127.13 30.92 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 120.944 0.402 . . . . 10.0 110.953 -179.824 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 38.0 m-85 -127.43 128.2 45.38 Favored 'General case' 0 C--O 1.238 0.462 0 CA-C-N 116.007 -0.542 . . . . 10.0 111.438 -179.576 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -65.97 -46.0 79.66 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 108.336 -0.987 . . . . 10.0 108.336 177.489 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 34.3 pttt -114.93 151.45 34.03 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 114.797 -1.092 . . . . 10.0 108.485 178.153 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 27.8 mm -110.68 127.18 27.38 Favored Pre-proline 0 C--N 1.321 -0.641 0 N-CA-C 112.187 0.44 . . . . 10.0 112.187 -178.134 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . 0.484 ' O ' HG12 ' A' ' 67' ' ' VAL . 49.5 Cg_endo -74.23 137.03 22.99 Favored 'Trans proline' 0 C--N 1.345 0.367 0 C-N-CA 122.41 2.073 . . . . 10.0 111.518 178.047 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' SER . . . . . 0.454 ' HA ' ' CD1' ' A' ' 68' ' ' TRP . 0.9 OUTLIER -61.1 -24.54 66.31 Favored 'General case' 0 C--N 1.321 -0.652 0 N-CA-C 113.335 0.865 . . . . 10.0 113.335 -178.41 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 95.7 p -76.71 -5.41 47.93 Favored 'General case' 0 C--O 1.258 1.512 0 O-C-N 121.375 -0.828 . . . . 0.0 111.003 -177.864 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . 0.484 HG12 ' O ' ' A' ' 64' ' ' PRO . 1.9 p -97.85 -17.88 6.57 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.348 0 CA-C-N 119.876 1.216 . . . . 10.0 112.32 -177.651 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' TRP . . . . . 0.454 ' CD1' ' HA ' ' A' ' 65' ' ' SER . 76.0 m95 -64.15 -24.12 67.57 Favored 'General case' 0 N--CA 1.463 0.213 0 CA-C-O 120.86 0.362 . . . . 10.0 111.586 -179.101 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 21.5 tptp -65.98 -25.88 67.3 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.21 -0.45 . . . . 10.0 111.862 -178.918 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 89.3 m-85 -93.61 0.98 56.79 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.756 0.312 . . . . 10.0 111.637 -178.914 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . 0.417 HD13 ' HA ' ' A' ' 52' ' ' ALA . 1.4 mp -87.88 138.1 19.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-O 121.0 0.428 . . . . 10.0 110.781 -179.47 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 31.9 mtp-105 . . . . . 0 C--O 1.249 1.041 0 CA-C-O 118.127 -0.94 . . . . 10.0 109.906 179.68 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.451 -0.395 0 N-CA-C 109.565 -0.532 . . . . 10.0 109.565 . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . -67.03 -45.16 78.33 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.603 -0.726 . . . . 10.0 110.861 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 5' ' ' LEU . . . . . 0.7 ' CD2' ' SG ' ' C' ' 21' ' ' CYS . 7.0 mp -78.33 0.9 23.68 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.296 -0.411 . . . . 10.0 111.289 -179.787 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 35.3 ttpt -92.88 -48.48 6.52 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.072 -0.513 . . . . 10.0 109.812 179.062 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 7' ' ' ILE . . . . . . . . . . . . . 1.1 pt -73.9 -18.93 17.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-N 115.831 -0.622 . . . . 10.0 111.094 -179.858 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 1.4 mp -74.39 -19.0 60.59 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.917 -0.583 . . . . 10.0 111.863 -179.522 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 9' ' ' ASN . . . . . . . . . . . . . 13.1 t-20 -86.26 -17.65 34.13 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.857 0.36 . . . . 10.0 110.945 -179.371 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 10' ' ' ASN . . . . . 0.5 ' OD1' ' HB2' ' B' ' 12' ' ' ARG . 12.8 t-20 -99.28 123.21 43.38 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-O 120.917 0.389 . . . . 10.0 110.472 -179.717 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 81.7 mt -58.0 -37.23 60.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 CA-C-N 115.734 -0.666 . . . . 10.0 112.085 -179.295 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 12' ' ' ARG . . . . . 0.5 ' HB2' ' OD1' ' B' ' 10' ' ' ASN . 99.7 mtt180 -61.17 -53.45 56.77 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 111.862 0.319 . . . . 10.0 111.862 -178.952 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 13' ' ' THR . . . . . 0.449 ' OG1' ' HB3' ' B' ' 10' ' ' ASN . 0.6 OUTLIER -67.58 -35.41 78.96 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 120.783 0.325 . . . . 10.0 111.2 -179.72 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 12.8 tp -66.53 -38.39 87.08 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.283 -0.417 . . . . 10.0 110.83 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 19.9 mtt85 -59.73 -46.24 89.73 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.368 -0.378 . . . . 10.0 110.542 179.525 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 16' ' ' ALA . . . . . . . . . . . . . . . -70.14 -34.45 73.06 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.085 -0.507 . . . . 10.0 110.76 -179.728 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 17' ' ' GLN . . . . . . . . . . . . . 24.5 tp60 -67.61 -40.83 84.7 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.777 -0.647 . . . . 10.0 110.819 179.808 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -75.43 6.69 4.29 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 112.219 0.451 . . . . 10.0 112.219 -179.316 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 30.5 mmt180 -94.44 -8.44 38.56 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 122.322 -0.236 . . . . 10.0 110.918 179.609 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 2.9 pt-20 -88.17 -18.33 28.96 Favored 'General case' 0 N--CA 1.463 0.206 0 CA-C-O 120.913 0.387 . . . . 10.0 110.768 -179.774 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 21' ' ' CYS . . . . . 1.012 ' SG ' HD21 ' B' ' 26' ' ' LEU . 32.0 p -120.86 159.56 25.26 Favored 'General case' 0 CA--C 1.51 -0.574 0 CA-C-O 121.33 0.586 . . . . 0.0 111.013 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -85.55 170.77 12.28 Favored 'General case' 0 N--CA 1.452 -0.35 0 CA-C-N 115.558 -0.746 . . . . 10.0 110.697 179.153 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 52.3 tp -63.67 -31.79 73.07 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.657 -0.247 . . . . 10.0 111.116 -179.275 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 4.2 tp10 -52.27 -49.51 63.97 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.034 0.445 . . . . 10.0 110.832 179.631 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -73.19 -39.34 65.67 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.884 -0.598 . . . . 10.0 111.314 -179.947 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 26' ' ' LEU . . . . . 1.012 HD21 ' SG ' ' B' ' 21' ' ' CYS . 89.9 mt -65.14 -47.54 76.72 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.2 -0.455 . . . . 10.0 111.928 -179.295 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 27' ' ' GLU . . . . . 0.554 ' OE1' ' HD3' ' C' ' 41' ' ' ARG . 1.8 tp10 -63.15 -36.37 83.38 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.044 0.45 . . . . 10.0 110.929 -179.8 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 13.4 tt0 -70.64 -45.61 64.84 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.365 -0.38 . . . . 10.0 111.046 -179.846 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 29' ' ' MET . . . . . 0.524 ' HG3' ' O ' ' B' ' 26' ' ' LEU . 5.3 ppp? -66.91 -26.42 66.86 Favored 'General case' 0 CA--C 1.52 -0.183 0 N-CA-C 110.272 -0.269 . . . . 10.0 110.272 179.916 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 19.7 tp -59.2 -49.06 79.28 Favored 'General case' 0 N--CA 1.455 -0.189 0 N-CA-C 109.32 -0.622 . . . . 10.0 109.32 178.825 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 59.3 mt-10 -62.82 -45.73 91.24 Favored 'General case' 0 CA--C 1.52 -0.207 0 CA-C-N 115.631 -0.713 . . . . 10.0 110.297 179.2 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 32' ' ' LYS . . . . . 0.508 ' O ' HG22 ' B' ' 36' ' ' VAL . 81.2 mttt -59.27 -41.31 88.54 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.553 -0.749 . . . . 10.0 111.887 -179.077 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 25.9 tp -78.36 -35.11 47.86 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 120.877 0.37 . . . . 10.0 110.75 179.722 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 16.0 tt0 -63.65 -44.18 94.57 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.106 -0.497 . . . . 10.0 110.915 -179.736 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 35' ' ' VAL . . . . . 0.408 ' O ' ' HG3' ' B' ' 39' ' ' GLU . 30.0 m -64.69 -29.9 48.7 Favored 'Isoleucine or valine' 0 C--N 1.334 -0.098 0 C-N-CA 120.721 -0.392 . . . . 10.0 110.526 179.892 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 36' ' ' VAL . . . . . 0.508 HG22 ' O ' ' B' ' 32' ' ' LYS . 46.4 t -65.79 -45.78 90.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 N-CA-C 109.343 -0.614 . . . . 10.0 109.343 178.547 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 48.1 t -63.47 -35.89 74.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 115.765 -0.652 . . . . 10.0 109.338 178.88 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 5.4 t-20 -63.95 -44.85 91.59 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.496 -0.774 . . . . 10.0 109.896 179.017 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 39' ' ' GLU . . . . . 0.452 ' O ' ' HG3' ' B' ' 43' ' ' GLU . 95.6 mt-10 -61.84 -47.3 85.69 Favored 'General case' 0 C--O 1.234 0.241 0 CA-C-N 116.016 -0.538 . . . . 10.0 109.644 178.741 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -59.65 -41.04 89.66 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 115.544 -0.753 . . . . 10.0 110.588 179.626 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 41' ' ' ARG . . . . . . . . . . . . . 38.9 mtt180 -64.82 -36.72 85.24 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.204 -0.453 . . . . 10.0 110.26 179.241 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 34.4 tt0 -64.43 -44.67 90.46 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.171 -0.468 . . . . 10.0 109.831 179.117 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 43' ' ' GLU . . . . . 0.452 ' HG3' ' O ' ' B' ' 39' ' ' GLU . 42.6 mt-10 -55.5 -51.45 66.97 Favored 'General case' 0 N--CA 1.463 0.186 0 CA-C-N 115.855 -0.611 . . . . 10.0 110.632 179.419 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -66.85 -34.7 78.38 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.466 -0.788 . . . . 10.0 111.955 -178.924 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 45' ' ' SER . . . . . . . . . . . . . 44.9 m -72.9 -25.18 60.97 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.881 0.372 . . . . 10.0 111.262 -179.719 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.43 0 CA-C-N 116.315 -0.402 . . . . 10.0 111.54 -179.461 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' C' C ' 3' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 . . . . . 0 N--CA 1.452 -0.352 0 CA-C-O 121.049 0.452 . . . . 10.0 110.585 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' C' C ' 4' ' ' ALA . . . . . . . . . . . . . . . -96.12 -29.07 14.29 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.977 -0.556 . . . . 10.0 111.28 -179.369 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 5' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -78.29 -1.81 34.89 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.023 -0.535 . . . . 10.0 112.181 -178.864 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 6' ' ' LYS . . . . . . . . . . . . . 27.0 tptt -75.42 -39.22 59.18 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.636 0.255 . . . . 10.0 111.619 -179.217 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 7' ' ' ILE . . . . . . . . . . . . . 1.4 pp -72.49 -20.14 19.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 N-CA-C 112.392 0.516 . . . . 10.0 112.392 -178.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 8' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -79.74 -6.56 57.48 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 121.265 0.555 . . . . 10.0 110.642 179.901 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 9' ' ' ASN . . . . . . . . . . . . . 28.5 t-20 -84.42 -27.65 27.43 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.947 -0.57 . . . . 10.0 110.509 179.857 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 10' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -99.12 121.61 41.24 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.826 -0.625 . . . . 10.0 110.347 -179.215 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 11' ' ' ILE . . . . . . . . . . . . . 10.3 tp -62.83 -26.01 39.77 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.4 0 CA-C-N 116.462 -0.336 . . . . 10.0 111.647 -179.431 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 12' ' ' ARG . . . . . . . . . . . . . 9.3 mmt180 -62.1 -56.06 22.65 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 121.048 0.451 . . . . 10.0 110.921 -179.612 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 13' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -69.55 -39.64 77.31 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.968 -0.56 . . . . 10.0 110.799 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 14' ' ' LEU . . . . . . . . . . . . . 13.2 tp -54.73 -53.55 53.49 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.463 -0.79 . . . . 10.0 112.075 -179.106 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 15' ' ' ARG . . . . . . . . . . . . . 34.8 ttm180 -65.43 -36.01 82.65 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.632 0.254 . . . . 10.0 111.266 -179.611 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 16' ' ' ALA . . . . . . . . . . . . . . . -66.55 -39.2 88.43 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.304 -0.407 . . . . 10.0 111.846 -179.396 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 17' ' ' GLN . . . . . . . . . . . . . 45.3 mt-30 -83.26 -31.19 27.08 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.556 -0.293 . . . . 10.0 111.346 -179.613 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 18' ' ' ALA . . . . . . . . . . . . . . . -69.65 -24.68 63.65 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.683 0.277 . . . . 10.0 111.364 -179.776 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 19' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -72.19 -12.21 61.08 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.784 0.326 . . . . 10.0 111.27 -179.777 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 20' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -82.22 -30.41 30.82 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 120.964 0.412 . . . . 10.0 110.47 -179.736 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 21' ' ' CYS . . . . . 0.7 ' SG ' ' CD2' ' B' ' 5' ' ' LEU . 74.6 m -94.61 151.34 19.4 Favored 'General case' 0 CA--C 1.511 -0.54 0 CA-C-N 115.815 -0.629 . . . . 0.0 110.914 179.931 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 22' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -72.53 154.54 40.77 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.62 -0.718 . . . . 10.0 110.945 178.339 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 37.9 tp -58.39 -31.73 67.94 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.343 -0.389 . . . . 10.0 111.054 179.707 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 24' ' ' GLU . . . . . . . . . . . . . 14.2 tt0 -58.8 -49.93 75.86 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.175 -0.466 . . . . 10.0 110.954 179.694 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 25' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -64.49 -35.25 80.34 Favored 'General case' 0 N--CA 1.45 -0.454 0 CA-C-N 116.35 -0.386 . . . . 10.0 110.865 179.872 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 26' ' ' LEU . . . . . . . . . . . . . 95.6 mt -64.68 -48.33 75.12 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.993 -0.549 . . . . 10.0 110.422 179.547 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 27' ' ' GLU . . . . . . . . . . . . . 59.0 mt-10 -66.66 -37.12 84.14 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.265 -0.425 . . . . 10.0 110.916 179.92 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 28' ' ' GLU . . . . . . . . . . . . . 15.0 tt0 -61.51 -47.24 86.52 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.055 -0.521 . . . . 10.0 110.864 -179.922 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 29' ' ' MET . . . . . . . . . . . . . 21.0 ptp -76.78 -25.12 53.01 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.442 -0.345 . . . . 10.0 111.227 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 30' ' ' LEU . . . . . . . . . . . . . 26.3 tp -62.87 -38.26 90.17 Favored 'General case' 0 C--O 1.232 0.153 0 CA-C-O 120.803 0.335 . . . . 10.0 110.196 179.721 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 31' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -62.86 -34.65 77.81 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.794 -0.639 . . . . 10.0 110.431 179.586 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 32' ' ' LYS . . . . . . . . . . . . . 22.2 mmtp -75.65 -37.11 59.93 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.888 -0.596 . . . . 10.0 109.564 179.48 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 33' ' ' LEU . . . . . . . . . . . . . 15.8 tp -65.82 -49.44 68.22 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.495 -0.775 . . . . 10.0 111.56 -179.578 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 34' ' ' GLU . . . . . . . . . . . . . 14.8 pt-20 -58.87 -42.44 89.41 Favored 'General case' 0 C--N 1.33 -0.245 0 N-CA-C 111.84 0.311 . . . . 10.0 111.84 -178.726 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 35' ' ' VAL . . . . . . . . . . . . . 33.8 m -72.28 -36.57 56.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 C-N-CA 120.411 -0.516 . . . . 10.0 111.223 -179.679 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 36' ' ' VAL . . . . . . . . . . . . . 11.8 t -67.15 -45.89 85.53 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.336 0 CA-C-O 120.998 0.428 . . . . 10.0 110.334 179.675 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 37' ' ' VAL . . . . . . . . . . . . . 60.7 t -62.72 -36.25 74.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.166 -0.47 . . . . 10.0 109.77 178.646 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 38' ' ' ASN . . . . . 0.663 ' O ' ' HG3' ' C' ' 42' ' ' GLU . 10.9 t30 -63.64 -36.42 83.77 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.912 -0.586 . . . . 10.0 110.393 179.307 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 39' ' ' GLU . . . . . 0.477 ' O ' ' HG3' ' C' ' 43' ' ' GLU . 3.6 mt-10 -61.12 -40.26 93.12 Favored 'General case' 0 N--CA 1.461 0.119 0 CA-C-O 120.916 0.389 . . . . 10.0 110.092 179.412 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 40' ' ' ARG . . . . . 0.527 ' HD2' ' OE1' ' C' ' 43' ' ' GLU . 10.4 mmm180 -71.19 -31.89 68.18 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 115.951 -0.568 . . . . 10.0 109.606 178.725 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 41' ' ' ARG . . . . . 0.554 ' HD3' ' OE1' ' B' ' 27' ' ' GLU . 6.2 mmm-85 -63.28 -45.46 91.34 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.519 -0.764 . . . . 10.0 110.235 178.718 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 42' ' ' GLU . . . . . 0.663 ' HG3' ' O ' ' C' ' 38' ' ' ASN . 30.4 mt-10 -56.55 -37.99 71.27 Favored 'General case' 0 C--N 1.333 -0.14 0 CA-C-N 115.908 -0.587 . . . . 10.0 110.33 179.879 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 43' ' ' GLU . . . . . 0.527 ' OE1' ' HD2' ' C' ' 40' ' ' ARG . 55.1 mt-10 -63.35 -38.78 92.49 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.726 -0.67 . . . . 10.0 111.403 -179.761 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 44' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -77.94 -38.61 45.02 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.468 -0.333 . . . . 10.0 111.386 -179.673 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 45' ' ' SER . . . . . . . . . . . . . 8.9 m -72.59 -20.49 61.29 Favored 'General case' 0 C--O 1.233 0.236 0 N-CA-C 112.054 0.39 . . . . 10.0 112.054 -178.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 46' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.418 0 CA-C-O 121.198 0.523 . . . . 10.0 110.163 179.299 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.476 ' HB2' ' CZ ' ' A' ' 11' ' ' TYR . 67.2 mt . . . . . 0 N--CA 1.48 1.056 0 N-CA-C 110.038 -0.356 . . . . 10.0 110.038 . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -86.92 158.89 19.2 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.386 -0.37 . . . . 10.0 110.068 179.746 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.436 ' HZ3' ' CD ' ' C' ' 28' ' ' GLU . 51.6 tttt -56.51 -34.29 66.84 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.184 -0.462 . . . . 10.0 110.936 179.575 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -73.58 -27.93 61.57 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.829 -0.623 . . . . 10.0 111.419 179.885 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 11.9 m-20 -62.76 -50.81 69.59 Favored 'General case' 0 CA--C 1.52 -0.208 0 CA-C-O 121.067 0.461 . . . . 10.0 110.309 -179.746 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . 0.476 ' CZ ' ' HB2' ' A' ' 6' ' ' LEU . 44.1 m-85 -65.2 -38.42 90.39 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.716 -0.674 . . . . 10.0 109.953 179.922 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 37.5 tp -61.02 -45.4 94.98 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.917 -0.583 . . . . 10.0 110.631 179.559 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 59.8 mmm -64.77 -27.1 68.67 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.485 -0.325 . . . . 10.0 111.292 -179.923 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -78.7 -45.65 20.82 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.202 0.525 . . . . 10.0 109.65 179.207 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 88.0 mt -74.03 -21.76 59.83 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.79 -0.641 . . . . 10.0 111.79 -179.138 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.52 ' HA ' ' NE ' ' A' ' 50' ' ' ARG . 33.8 mtt180 -72.54 -9.79 59.0 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.832 0.349 . . . . 10.0 111.012 179.676 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 20.9 mtm-85 -88.62 -10.85 47.22 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 109.209 -0.663 . . . . 10.0 109.209 178.294 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 57.4 m -93.63 136.75 33.6 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.439 -0.8 . . . . 10.0 109.067 178.931 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 4.1 mm-40 -130.62 -175.42 3.65 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.574 -0.285 . . . . 10.0 111.581 -178.824 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 1.1 m 70.01 -4.1 1.59 Allowed 'General case' 0 CA--C 1.538 0.483 0 CA-C-N 115.608 -0.724 . . . . 10.0 112.722 178.61 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 73.5 mt 72.07 -53.32 0.26 Allowed 'Isoleucine or valine' 0 N--CA 1.471 0.604 0 C-N-CA 123.04 0.536 . . . . 10.0 111.36 -179.854 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 6.1 t70 -53.83 -45.08 70.76 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.723 -0.671 . . . . 10.0 111.852 -179.848 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 1.6 m -65.29 -33.26 75.56 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.875 0.369 . . . . 10.0 110.942 179.853 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 25.3 tp -67.7 -51.04 54.17 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.125 -0.489 . . . . 10.0 110.894 179.775 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 33.5 mt-10 -64.33 -14.93 59.06 Favored 'General case' 0 N--CA 1.464 0.269 0 CA-C-N 116.211 -0.449 . . . . 10.0 111.5 -179.458 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 8.1 ttm105 -87.19 -44.49 11.44 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.372 -0.377 . . . . 10.0 111.088 179.8 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 10.7 p -73.91 -34.03 38.49 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.435 0 N-CA-C 112.035 0.383 . . . . 10.0 112.035 -178.805 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 48.9 pt -67.76 -36.98 77.73 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.213 0 C-N-CA 120.744 -0.382 . . . . 10.0 111.54 -179.372 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 46.3 tp10 -67.15 -38.58 85.76 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 121.028 0.442 . . . . 10.0 109.987 179.796 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 96.1 mttt -68.77 -43.22 76.22 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.978 -0.556 . . . . 10.0 110.398 179.519 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -67.13 -25.84 66.39 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.171 -0.468 . . . . 10.0 110.468 179.789 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 32.8 ttmt -61.72 -35.55 78.39 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.072 0.463 . . . . 10.0 110.17 179.197 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 15.8 m-85 -83.27 2.11 37.63 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.992 -0.549 . . . . 10.0 111.311 -179.767 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 57.0 mt-10 -128.8 22.03 5.87 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.867 0.365 . . . . 10.0 111.498 -178.911 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 21.3 mt -109.39 159.32 17.11 Favored 'General case' 0 C--N 1.325 -0.461 0 C-N-CA 121.08 -0.248 . . . . 10.0 110.361 179.704 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' SER . . . . . 0.458 ' O ' ' HB2' ' A' ' 37' ' ' ASP . 0.8 OUTLIER -88.69 9.33 24.66 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 120.844 0.354 . . . . 10.0 111.068 -179.262 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . 0.458 ' HB2' ' O ' ' A' ' 36' ' ' SER . 98.6 m-20 76.96 -34.84 0.22 Allowed 'General case' 0 C--O 1.253 1.275 0 C-N-CA 124.353 1.061 . . . . 0.0 110.99 178.094 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -68.74 -44.83 72.98 Favored 'General case' 0 C--N 1.327 -0.388 0 O-C-N 121.089 -1.007 . . . . 10.0 111.723 -179.386 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -74.2 -14.3 60.92 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.327 0.584 . . . . 10.0 110.441 -179.167 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 46.1 tp -67.03 -18.82 65.54 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.592 -0.731 . . . . 10.0 110.559 179.831 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -62.06 -44.95 95.58 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.032 -0.531 . . . . 10.0 110.855 179.735 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -87.17 -23.27 6.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.168 -0.469 . . . . 10.0 110.818 179.75 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 55.8 t80 -67.45 -35.53 79.39 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.067 -0.515 . . . . 10.0 110.41 179.657 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -59.7 -53.16 61.28 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 116.117 -0.492 . . . . 10.0 110.478 179.394 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' SER . . . . . 0.403 ' HB3' ' OE1' ' C' ' 28' ' ' GLU . 1.4 m -62.3 -31.44 72.04 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.065 -0.516 . . . . 10.0 111.277 -179.863 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -65.92 -49.54 67.63 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.845 0.355 . . . . 10.0 110.472 179.5 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -66.12 -43.06 88.22 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.08 -0.509 . . . . 10.0 110.154 179.546 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -58.02 -51.05 71.26 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.88 -0.6 . . . . 10.0 110.515 179.649 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 3.2 t60 -60.68 -38.46 85.03 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.817 -0.629 . . . . 10.0 110.861 -179.877 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . 0.52 ' NE ' ' HA ' ' A' ' 16' ' ' ARG . 31.4 tpt180 -69.61 -37.93 77.05 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.179 -0.464 . . . . 10.0 111.035 -179.728 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 25.3 tp -66.43 -39.57 88.99 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.721 -0.218 . . . . 10.0 110.984 -179.5 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -57.77 -49.24 77.27 Favored 'General case' 0 C--O 1.235 0.337 0 CA-C-N 116.384 -0.371 . . . . 10.0 111.776 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 7.6 pt-20 -72.01 -30.77 65.56 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.314 -0.403 . . . . 10.0 111.346 -179.341 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 7.4 tp -73.78 -49.46 25.29 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.319 -0.4 . . . . 10.0 111.589 -179.126 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 93.4 m -61.83 -39.15 90.82 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 111.875 0.324 . . . . 10.0 111.875 -179.268 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' MET . . . . . 0.473 ' HG3' ' CG2' ' A' ' 67' ' ' VAL . 30.5 mmm -85.89 -4.44 59.17 Favored 'General case' 0 C--N 1.326 -0.436 0 C-N-CA 121.127 -0.229 . . . . 10.0 111.523 -179.475 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 6.1 t30 54.99 45.91 25.42 Favored 'General case' 0 C--O 1.232 0.148 0 CA-C-O 121.311 0.577 . . . . 10.0 110.593 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 36.1 tttp -162.66 118.45 1.87 Allowed 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.709 -0.678 . . . . 10.0 109.709 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 3.7 mp -74.84 134.43 41.71 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 116.323 -0.398 . . . . 10.0 111.362 -179.382 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 42.6 m-85 -138.23 134.49 34.49 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.531 -0.759 . . . . 10.0 110.175 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -74.04 -42.1 60.77 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 108.766 -0.827 . . . . 10.0 108.766 178.521 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 23.3 pttp -106.17 142.69 35.44 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 108.392 -0.966 . . . . 10.0 108.392 178.245 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 47.7 mm -108.3 120.51 46.43 Favored Pre-proline 0 C--N 1.321 -0.651 0 C-N-CA 120.954 -0.298 . . . . 10.0 111.536 -178.521 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . 0.422 ' HG2' ' HB ' ' A' ' 67' ' ' VAL . 59.9 Cg_endo -82.39 137.39 9.25 Favored 'Trans proline' 0 N--CA 1.453 -0.892 0 C-N-CA 122.348 2.032 . . . . 10.0 110.843 177.949 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -56.73 -25.66 55.16 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 112.223 0.453 . . . . 10.0 112.223 -178.814 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 95.8 p -76.49 -1.18 25.93 Favored 'General case' 0 C--O 1.258 1.551 0 O-C-N 121.556 -0.715 . . . . 0.0 110.975 -178.131 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . 0.473 ' CG2' ' HG3' ' A' ' 56' ' ' MET . 0.9 OUTLIER -102.31 -13.77 8.4 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.047 0 CA-C-N 119.86 1.209 . . . . 10.0 112.095 -178.65 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' TRP . . . . . 0.605 ' CZ2' ' HE2' ' C' ' 32' ' ' LYS . 40.6 m95 -73.68 -5.38 40.18 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 112.187 0.44 . . . . 10.0 112.187 -178.763 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . 0.427 ' HD3' ' O ' ' A' ' 69' ' ' LYS . 12.8 tppt? -69.86 -29.17 66.34 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.244 0.545 . . . . 10.0 110.201 179.285 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 75.0 m-85 -79.62 -10.9 59.87 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.12 -0.491 . . . . 10.0 111.473 -179.056 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 3.7 mp -102.83 113.32 39.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-O 121.305 0.574 . . . . 10.0 109.995 -179.8 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . 0.553 ' HA ' ' NH1' ' B' ' 15' ' ' ARG . 71.9 mtp180 . . . . . 0 C--O 1.246 0.901 0 CA-C-O 118.565 -0.731 . . . . 10.0 110.471 -179.096 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.455 -0.222 0 N-CA-C 109.81 -0.441 . . . . 10.0 109.81 . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . -81.66 -49.3 10.65 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.813 -0.631 . . . . 10.0 111.083 -179.734 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -66.21 -14.28 61.64 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.048 -0.524 . . . . 10.0 111.707 -178.918 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 67.1 tttt -78.68 -29.42 45.57 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 120.951 0.405 . . . . 10.0 110.932 -179.819 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 7' ' ' ILE . . . . . . . . . . . . . 13.9 mt -75.03 -26.24 18.98 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-N 116.144 -0.48 . . . . 10.0 110.646 -179.408 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 10.5 mp -81.59 -10.01 59.54 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.777 -0.647 . . . . 10.0 111.128 -179.405 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 9' ' ' ASN . . . . . . . . . . . . . 19.6 t-20 -71.4 -47.53 55.52 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.026 0.441 . . . . 10.0 110.426 -179.821 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 10' ' ' ASN . . . . . 0.513 ' OD1' ' HB2' ' B' ' 12' ' ' ARG . 20.4 t-20 -104.4 130.3 52.28 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.853 -0.612 . . . . 10.0 110.498 -179.732 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 36.6 mt -65.56 -33.11 61.39 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-N 115.747 -0.661 . . . . 10.0 112.648 -178.678 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 12' ' ' ARG . . . . . 0.513 ' HB2' ' OD1' ' B' ' 10' ' ' ASN . 17.6 mmt85 -63.17 -39.74 95.53 Favored 'General case' 0 N--CA 1.465 0.31 0 CA-C-O 120.676 0.274 . . . . 10.0 111.08 -179.1 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 13' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -77.45 -35.12 54.2 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.096 0.475 . . . . 10.0 110.779 179.586 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 47.3 tp -69.16 -41.12 77.68 Favored 'General case' 0 C--O 1.234 0.285 0 CA-C-N 115.701 -0.681 . . . . 10.0 111.94 -179.304 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 15' ' ' ARG . . . . . 0.553 ' NH1' ' HA ' ' A' ' 72' ' ' ARG . 33.8 mtt180 -56.52 -38.85 72.39 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.459 -0.337 . . . . 10.0 111.312 -179.575 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 16' ' ' ALA . . . . . . . . . . . . . . . -65.45 -41.59 93.27 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.318 -0.401 . . . . 10.0 111.512 -179.887 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 17' ' ' GLN . . . . . 0.552 ' O ' ' HG2' ' B' ' 20' ' ' GLU . 3.4 tp60 -70.61 -33.15 70.72 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.046 0.45 . . . . 10.0 111.25 -179.361 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -68.9 -9.6 52.64 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.217 -0.447 . . . . 10.0 112.106 -179.259 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 20.5 mmm180 -83.19 -8.62 59.46 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 111.958 0.355 . . . . 10.0 111.958 -179.53 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 20' ' ' GLU . . . . . 0.552 ' HG2' ' O ' ' B' ' 17' ' ' GLN . 10.7 pt-20 -100.7 2.83 41.83 Favored 'General case' 0 C--N 1.328 -0.356 0 C-N-CA 120.802 -0.359 . . . . 10.0 111.146 179.871 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 21' ' ' CYS . . . . . . . . . . . . . 79.3 m -130.28 152.54 49.59 Favored 'General case' 0 CA--C 1.511 -0.536 0 CA-C-O 120.831 0.348 . . . . 0.0 110.956 179.454 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -81.2 164.98 21.92 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.036 -0.529 . . . . 10.0 111.251 179.16 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 47.6 tp -55.02 -47.82 74.21 Favored 'General case' 0 N--CA 1.463 0.2 0 CA-C-N 116.28 -0.418 . . . . 10.0 111.135 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 40.3 mt-10 -56.86 -43.94 81.69 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.148 -0.478 . . . . 10.0 111.426 -179.237 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -64.28 -43.5 94.58 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.835 0.35 . . . . 10.0 111.061 -179.93 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 26' ' ' LEU . . . . . 0.492 ' O ' ' HG3' ' B' ' 29' ' ' MET . 81.8 mt -68.51 -41.57 79.8 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.931 -0.577 . . . . 10.0 110.663 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 23.5 tt0 -64.51 -41.13 96.6 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.261 -0.427 . . . . 10.0 110.51 179.793 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 13.5 tt0 -61.43 -48.84 79.35 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.017 -0.538 . . . . 10.0 110.837 179.747 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 29' ' ' MET . . . . . 0.492 ' HG3' ' O ' ' B' ' 26' ' ' LEU . 4.5 ppp? -70.21 -26.76 64.02 Favored 'General case' 0 C--N 1.33 -0.258 0 C-N-CA 121.004 -0.278 . . . . 10.0 110.756 -179.369 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 40.2 tp -62.22 -47.09 85.98 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-O 120.918 0.39 . . . . 10.0 109.963 178.655 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 17.9 mt-10 -65.23 -32.83 74.7 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.765 -0.652 . . . . 10.0 110.534 179.676 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 13.1 mttt -65.56 -46.16 80.55 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.201 -0.454 . . . . 10.0 110.22 179.492 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 33' ' ' LEU . . . . . 0.417 ' O ' HG22 ' B' ' 37' ' ' VAL . 52.5 tp -70.36 -39.57 74.56 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.422 -0.354 . . . . 10.0 110.658 179.829 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 11.2 tp10 -56.4 -48.8 76.16 Favored 'General case' 0 CA--C 1.532 0.282 0 CA-C-N 116.133 -0.485 . . . . 10.0 111.525 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 35' ' ' VAL . . . . . 0.437 ' O ' ' HG3' ' B' ' 39' ' ' GLU . 27.2 m -64.89 -34.96 73.93 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.276 0 C-N-CA 120.617 -0.433 . . . . 10.0 111.26 -179.52 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 70.4 t -65.18 -44.01 95.41 Favored 'Isoleucine or valine' 0 C--O 1.238 0.454 0 CA-C-O 121.011 0.434 . . . . 10.0 109.988 179.238 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 37' ' ' VAL . . . . . 0.417 HG22 ' O ' ' B' ' 33' ' ' LEU . 47.6 t -67.44 -38.37 80.59 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.26 0 N-CA-C 109.383 -0.599 . . . . 10.0 109.383 178.88 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 65.3 t30 -60.08 -40.14 88.55 Favored 'General case' 0 C--O 1.234 0.251 0 CA-C-N 116.042 -0.527 . . . . 10.0 109.976 178.889 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 39' ' ' GLU . . . . . 0.437 ' HG3' ' O ' ' B' ' 35' ' ' VAL . 95.2 mt-10 -59.97 -46.33 89.76 Favored 'General case' 0 N--CA 1.456 -0.148 0 N-CA-C 109.37 -0.604 . . . . 10.0 109.37 178.295 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 40' ' ' ARG . . . . . 0.416 HH11 ' HD3' ' B' ' 40' ' ' ARG . 9.6 mmm-85 -61.84 -41.12 97.41 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 115.649 -0.705 . . . . 10.0 110.681 179.458 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 41' ' ' ARG . . . . . . . . . . . . . 59.5 mtt180 -56.93 -44.12 82.14 Favored 'General case' 0 CA--C 1.521 -0.147 0 N-CA-C 109.624 -0.51 . . . . 10.0 109.624 178.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 7.0 tp10 -69.8 -46.72 65.08 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.431 -0.804 . . . . 10.0 111.004 -179.823 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 50.1 mt-10 -58.63 -35.91 73.24 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.453 -0.34 . . . . 10.0 111.791 -178.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -83.72 -32.83 25.3 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 112.356 0.502 . . . . 10.0 112.356 -179.266 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 45' ' ' SER . . . . . . . . . . . . . 23.2 p -79.2 -25.66 42.68 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.895 0.378 . . . . 10.0 110.827 -179.688 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.45 0 CA-C-N 116.15 -0.477 . . . . 10.0 110.85 179.325 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' C' C ' 3' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.143 0 CA-C-O 120.807 0.337 . . . . 10.0 111.101 . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 4' ' ' ALA . . . . . . . . . . . . . . . -61.15 -38.07 85.1 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.286 -0.416 . . . . 10.0 111.612 -179.159 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 5' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -67.57 -24.51 65.52 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.129 -0.487 . . . . 10.0 111.516 -179.424 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 6' ' ' LYS . . . . . . . . . . . . . 20.0 tptm -73.16 -38.39 66.22 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.763 0.316 . . . . 10.0 111.164 -179.465 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 7' ' ' ILE . . . . . . . . . . . . . 7.6 mt -66.99 -33.5 63.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-O 121.212 0.53 . . . . 10.0 110.513 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 8' ' ' LEU . . . . . . . . . . . . . 9.0 mp -79.13 -5.87 55.17 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.287 -0.869 . . . . 10.0 111.219 -179.46 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 9' ' ' ASN . . . . . . . . . . . . . 2.4 t-20 -86.32 -14.17 44.4 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.024 0.44 . . . . 10.0 110.406 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 10' ' ' ASN . . . . . 0.512 ' HB3' ' OG1' ' C' ' 13' ' ' THR . 15.2 t-20 -103.24 115.72 31.11 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.73 -0.668 . . . . 10.0 110.032 -179.776 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 11' ' ' ILE . . . . . . . . . . . . . 4.6 tp -58.57 -27.57 34.26 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.353 0 CA-C-N 115.833 -0.621 . . . . 10.0 112.443 -178.632 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 12' ' ' ARG . . . . . . . . . . . . . 15.1 mmt180 -69.02 -56.54 7.44 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.695 0.283 . . . . 10.0 111.026 -179.611 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 13' ' ' THR . . . . . 0.512 ' OG1' ' HB3' ' C' ' 10' ' ' ASN . 1.2 p -67.7 -34.11 76.23 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.187 -0.46 . . . . 10.0 110.995 -179.507 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 14' ' ' LEU . . . . . . . . . . . . . 28.1 tp -59.81 -51.13 71.04 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.164 -0.471 . . . . 10.0 110.296 179.588 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 15' ' ' ARG . . . . . . . . . . . . . 36.5 ttm105 -64.5 -36.05 82.95 Favored 'General case' 0 CA--C 1.532 0.281 0 CA-C-O 120.922 0.391 . . . . 10.0 110.266 179.78 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 16' ' ' ALA . . . . . . . . . . . . . . . -65.3 -46.41 80.5 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.174 -0.466 . . . . 10.0 111.677 -179.907 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 17' ' ' GLN . . . . . . . . . . . . . 98.2 mt-30 -74.21 -39.21 63.27 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.945 0.402 . . . . 10.0 111.49 -179.35 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 18' ' ' ALA . . . . . . . . . . . . . . . -67.32 -28.02 67.64 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.381 -0.372 . . . . 10.0 111.906 -179.532 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 19' ' ' ARG . . . . . . . . . . . . . 7.7 mtt180 -68.62 -12.98 62.04 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 111.938 0.347 . . . . 10.0 111.938 -179.32 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 20' ' ' GLU . . . . . . . . . . . . . 22.7 mt-10 -92.16 -1.47 57.14 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.979 0.418 . . . . 10.0 110.231 179.202 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 21' ' ' CYS . . . . . . . . . . . . . 71.8 m -111.82 153.28 26.82 Favored 'General case' 0 CA--C 1.511 -0.534 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.977 179.574 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 22' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -76.84 152.04 35.64 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.74 -0.664 . . . . 10.0 110.843 179.903 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 16.3 tp -62.83 -33.42 75.19 Favored 'General case' 0 C--N 1.332 -0.17 0 N-CA-C 110.027 -0.36 . . . . 10.0 110.027 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 24' ' ' GLU . . . . . . . . . . . . . 2.2 tp10 -53.9 -44.32 70.4 Favored 'General case' 0 C--O 1.231 0.079 0 CA-C-N 115.819 -0.628 . . . . 10.0 109.901 178.743 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 25' ' ' THR . . . . . 0.456 ' O ' ' HB3' ' C' ' 29' ' ' MET . 0.2 OUTLIER -78.02 -38.73 44.05 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.693 -0.685 . . . . 10.0 111.32 -179.574 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' C' C ' 26' ' ' LEU . . . . . . . . . . . . . 94.4 mt -64.19 -45.62 87.56 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.295 -0.411 . . . . 10.0 111.822 -179.347 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 27' ' ' GLU . . . . . . . . . . . . . 6.6 tp10 -65.82 -50.63 63.93 Favored 'General case' 0 C--N 1.327 -0.408 0 C-N-CA 121.198 -0.201 . . . . 10.0 111.187 -179.209 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 28' ' ' GLU . . . . . 0.436 ' CD ' ' HZ3' ' A' ' 8' ' ' LYS . 2.0 tt0 -69.69 -4.31 19.04 Favored 'General case' 0 N--CA 1.469 0.517 0 N-CA-C 111.736 0.273 . . . . 10.0 111.736 -179.176 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 29' ' ' MET . . . . . 0.456 ' HB3' ' O ' ' C' ' 25' ' ' THR . 3.2 ptp -105.36 -31.54 9.0 Favored 'General case' 0 C--N 1.33 -0.256 0 N-CA-C 109.714 -0.476 . . . . 10.0 109.714 177.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 30' ' ' LEU . . . . . . . . . . . . . 34.5 tp -70.88 -37.45 73.03 Favored 'General case' 0 CA--C 1.518 -0.269 0 N-CA-C 109.766 -0.457 . . . . 10.0 109.766 179.302 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 31' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -60.55 -27.82 67.96 Favored 'General case' 0 N--CA 1.455 -0.209 0 CA-C-N 115.932 -0.576 . . . . 10.0 110.467 179.379 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 32' ' ' LYS . . . . . 0.605 ' HE2' ' CZ2' ' A' ' 68' ' ' TRP . 31.8 mmtp -77.09 -34.41 56.9 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.162 0.506 . . . . 10.0 110.531 179.638 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 33' ' ' LEU . . . . . 0.479 HD22 ' SD ' ' B' ' 29' ' ' MET . 54.8 tp -74.73 -45.54 43.43 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.825 -0.625 . . . . 10.0 111.6 -179.372 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 34' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -61.5 -37.21 82.86 Favored 'General case' 0 C--N 1.33 -0.266 0 C-N-CA 121.021 -0.272 . . . . 10.0 111.583 -178.923 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 35' ' ' VAL . . . . . . . . . . . . . 31.1 m -74.49 -31.4 27.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 C-N-CA 120.743 -0.383 . . . . 10.0 110.525 179.622 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 36' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -67.46 -33.77 64.44 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.288 0 CA-C-O 121.127 0.489 . . . . 10.0 109.745 179.368 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 37' ' ' VAL . . . . . 0.448 HG22 ' O ' ' C' ' 33' ' ' LEU . 57.6 t -77.62 -36.89 23.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 115.969 -0.559 . . . . 10.0 109.911 178.869 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 38' ' ' ASN . . . . . . . . . . . . . 3.0 t30 -60.49 -40.11 90.13 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.993 -0.549 . . . . 10.0 110.361 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 39' ' ' GLU . . . . . . . . . . . . . 10.0 mt-10 -61.28 -39.21 89.56 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.208 -0.451 . . . . 10.0 110.423 179.108 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 40' ' ' ARG . . . . . 0.499 ' HD2' ' OE1' ' C' ' 43' ' ' GLU . 11.8 mmm180 -67.55 -33.99 76.17 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 109.324 -0.621 . . . . 10.0 109.324 178.614 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 41' ' ' ARG . . . . . . . . . . . . . 8.7 mmm180 -63.68 -43.63 96.09 Favored 'General case' 0 C--O 1.232 0.151 0 N-CA-C 109.215 -0.661 . . . . 10.0 109.215 178.625 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 42' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -60.67 -43.29 97.84 Favored 'General case' 0 N--CA 1.455 -0.217 0 CA-C-N 115.43 -0.805 . . . . 10.0 110.337 179.334 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 43' ' ' GLU . . . . . 0.499 ' OE1' ' HD2' ' C' ' 40' ' ' ARG . 49.3 mt-10 -56.83 -46.34 81.75 Favored 'General case' 0 C--O 1.233 0.209 0 CA-C-O 120.955 0.407 . . . . 10.0 110.661 179.395 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 44' ' ' GLU . . . . . . . . . . . . . 1.5 tp10 -66.59 -46.62 75.34 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.654 -0.703 . . . . 10.0 111.718 -179.256 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 45' ' ' SER . . . . . . . . . . . . . 69.3 m -71.33 -18.12 62.41 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 112.179 0.437 . . . . 10.0 112.179 -179.201 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 46' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.351 0 CA-C-O 121.041 0.448 . . . . 10.0 111.131 -179.988 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.482 1.137 0 CA-C-O 120.512 0.196 . . . . 10.0 110.627 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -91.12 153.94 19.71 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.544 -0.298 . . . . 10.0 110.582 179.685 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 37.7 pttt -70.57 -20.13 62.81 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.752 0.311 . . . . 10.0 110.893 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -67.48 -37.54 83.05 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.301 -0.409 . . . . 10.0 110.649 179.177 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 31.2 m-20 -61.04 -50.58 72.77 Favored 'General case' 0 CA--C 1.521 -0.162 0 CA-C-O 121.401 0.62 . . . . 10.0 109.847 179.543 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 84.7 m-85 -65.59 -35.64 81.42 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.295 -0.866 . . . . 10.0 110.501 179.481 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 60.9 tp -60.45 -42.4 96.06 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.51 -0.313 . . . . 10.0 110.447 179.658 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 14.9 mmt -70.35 -33.8 71.88 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.785 0.326 . . . . 10.0 110.938 -179.756 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.65 -32.29 63.92 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.276 -0.42 . . . . 10.0 110.565 179.602 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 81.8 mt -86.91 -18.28 31.19 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.449 -0.342 . . . . 10.0 111.417 -179.647 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' ARG . . . . . 0.488 ' HA ' ' NE ' ' A' ' 50' ' ' ARG . 49.8 mtt180 -72.58 -7.04 48.14 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.878 0.371 . . . . 10.0 110.8 179.724 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 61.4 mtm-85 -84.18 -13.82 51.79 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.147 -0.479 . . . . 10.0 109.97 178.763 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 20.7 m -95.89 134.78 38.46 Favored 'General case' 0 C--O 1.236 0.351 0 CA-C-N 115.695 -0.684 . . . . 10.0 109.892 179.181 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 19.3 mm-40 -120.85 -166.99 1.41 Allowed 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.358 -0.383 . . . . 10.0 110.817 -179.378 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' THR . . . . . 0.432 ' O ' ' HB ' ' A' ' 21' ' ' ILE . 11.0 p 60.48 -3.7 0.13 Allowed 'General case' 0 N--CA 1.473 0.711 0 N-CA-C 114.531 1.308 . . . . 10.0 114.531 179.052 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.432 ' HB ' ' O ' ' A' ' 20' ' ' THR . 98.7 mt 71.97 -51.82 0.24 Allowed 'Isoleucine or valine' 0 N--CA 1.474 0.749 0 C-N-CA 122.756 0.422 . . . . 10.0 110.858 -178.952 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -55.3 -39.57 70.05 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.661 -0.7 . . . . 10.0 111.205 179.793 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 5.1 m -65.97 -34.72 78.75 Favored 'General case' 0 C--O 1.235 0.29 0 CA-C-O 121.108 0.48 . . . . 10.0 110.771 179.099 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.493 ' O ' HG12 ' A' ' 28' ' ' ILE . 34.3 tp -68.17 -37.71 81.29 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.958 -0.565 . . . . 10.0 110.646 -179.466 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 19.2 tp10 -64.21 -25.97 68.3 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.039 0.447 . . . . 10.0 111.182 -179.7 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 27.8 mtt85 -80.47 -41.6 24.07 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.565 -0.289 . . . . 10.0 111.583 -179.761 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 13.8 p -68.72 -41.25 82.43 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 C-N-CA 120.906 -0.318 . . . . 10.0 111.308 -178.912 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.493 HG12 ' O ' ' A' ' 24' ' ' LEU . 40.0 pt -67.98 -30.55 48.57 Favored 'Isoleucine or valine' 0 N--CA 1.461 0.1 0 CA-C-O 120.794 0.331 . . . . 10.0 110.46 179.806 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 45.8 tp10 -67.38 -39.85 85.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.984 -0.553 . . . . 10.0 110.181 179.217 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 33.5 mttp -75.6 -47.83 24.88 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.0 -0.546 . . . . 10.0 111.481 -179.516 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' ASN . . . . . 0.552 ' O ' ' HG ' ' A' ' 35' ' ' LEU . 12.8 m120 -61.81 -24.18 66.7 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.794 0.33 . . . . 10.0 110.796 -179.654 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 18.0 ttmt -57.87 -30.69 66.03 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.911 -0.586 . . . . 10.0 111.083 179.675 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 44.5 m-85 -99.98 5.4 45.16 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.28 -0.418 . . . . 10.0 111.323 -179.31 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 72.9 mt-10 -109.37 -34.06 6.65 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.352 -0.385 . . . . 10.0 111.058 179.789 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.552 ' HG ' ' O ' ' A' ' 31' ' ' ASN . 53.1 mt -67.35 153.29 44.04 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.254 -0.43 . . . . 10.0 111.312 -179.053 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 36' ' ' SER . . . . . 0.631 ' HB2' ' OD1' ' A' ' 38' ' ' ASN . 1.3 m -95.03 15.14 19.66 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.961 -0.563 . . . . 10.0 111.313 -178.963 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 37' ' ' ASP . . . . . 0.507 ' HB2' ' O ' ' A' ' 36' ' ' SER . 98.5 m-20 78.69 -26.23 0.18 Allowed 'General case' 0 C--O 1.257 1.5 0 C-N-CA 124.733 1.213 . . . . 0.0 111.06 177.337 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 38' ' ' ASN . . . . . 0.631 ' OD1' ' HB2' ' A' ' 36' ' ' SER . 3.0 p-10 -72.48 -38.62 68.13 Favored 'General case' 0 C--N 1.322 -0.63 0 O-C-N 120.507 -1.371 . . . . 10.0 111.223 -179.024 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -88.91 -12.06 42.77 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.255 0.55 . . . . 10.0 109.828 -179.832 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 54.8 tp -60.63 -26.38 66.99 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.395 -0.821 . . . . 10.0 110.717 179.607 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -59.14 -52.67 64.73 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.153 -0.476 . . . . 10.0 111.231 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 5.7 m -79.03 -24.3 12.85 Favored 'Isoleucine or valine' 0 C--O 1.233 0.236 0 C-N-CA 120.933 -0.307 . . . . 10.0 110.674 179.612 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 49.2 t80 -64.76 -38.61 91.58 Favored 'General case' 0 C--N 1.33 -0.273 0 N-CA-C 109.665 -0.495 . . . . 10.0 109.665 178.902 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 1.6 m-85 -60.05 -45.25 93.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.026 -0.534 . . . . 10.0 109.711 178.541 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' SER . . . . . 0.642 ' O ' ' HB2' ' A' ' 49' ' ' HIS . 23.8 m -62.0 -38.92 90.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.72 -0.673 . . . . 10.0 110.666 179.15 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -65.11 -46.4 81.2 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.327 -0.397 . . . . 10.0 111.031 179.827 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -64.3 -49.57 71.26 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.032 -0.531 . . . . 10.0 110.715 179.737 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 18.7 m-20 -59.15 -45.27 91.41 Favored 'General case' 0 N--CA 1.463 0.211 0 CA-C-O 121.251 0.548 . . . . 10.0 110.147 179.593 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 49' ' ' HIS . . . . . 0.642 ' HB2' ' O ' ' A' ' 45' ' ' SER . 0.7 OUTLIER -61.11 -45.96 92.56 Favored 'General case' 0 N--CA 1.462 0.169 0 CA-C-N 115.566 -0.743 . . . . 10.0 110.63 -180.0 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 50' ' ' ARG . . . . . 0.488 ' NE ' ' HA ' ' A' ' 16' ' ' ARG . 23.0 tpt180 -63.63 -40.72 97.6 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.644 -0.707 . . . . 10.0 111.525 -179.623 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.415 HD23 HG13 ' A' ' 71' ' ' ILE . 35.7 tp -68.18 -40.21 82.34 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.532 -0.304 . . . . 10.0 110.892 -179.679 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -60.3 -50.49 73.41 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.355 -0.384 . . . . 10.0 111.978 -179.738 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -65.74 -34.65 78.69 Favored 'General case' 0 C--O 1.235 0.292 0 CA-C-O 120.822 0.344 . . . . 10.0 111.073 -179.345 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.414 HD12 ' HA ' ' A' ' 54' ' ' LEU . 8.2 tp -73.55 -34.52 65.21 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.271 -0.422 . . . . 10.0 111.508 -179.474 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 78.3 m -71.02 -42.7 69.21 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.83 0.348 . . . . 10.0 111.102 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 95.1 mmm -79.97 -11.88 59.76 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.222 -0.445 . . . . 10.0 110.815 -179.911 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 21.8 t30 61.12 35.3 18.68 Favored 'General case' 0 N--CA 1.464 0.275 0 CA-C-N 115.546 -0.752 . . . . 10.0 111.041 179.73 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 18.8 tptp -151.59 113.75 4.52 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.721 -0.672 . . . . 10.0 109.478 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 2.2 mp -70.3 130.04 40.93 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 116.14 -0.482 . . . . 10.0 111.495 -179.554 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 21.5 m-85 -138.99 139.36 37.87 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.617 -0.72 . . . . 10.0 109.593 179.368 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 69.8 m-20 -60.56 -54.32 46.85 Favored 'General case' 0 CA--C 1.514 -0.407 0 N-CA-C 108.952 -0.758 . . . . 10.0 108.952 178.791 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -101.92 145.2 29.57 Favored 'General case' 0 N--CA 1.446 -0.667 0 N-CA-C 108.076 -1.083 . . . . 10.0 108.076 177.572 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 40.6 mm -104.87 119.11 54.48 Favored Pre-proline 0 C--N 1.319 -0.75 0 C-N-CA 120.384 -0.526 . . . . 10.0 111.265 -179.188 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 64' ' ' PRO . . . . . 0.429 ' HB2' HG23 ' A' ' 67' ' ' VAL . 48.6 Cg_exo -55.06 143.69 72.59 Favored 'Trans proline' 0 CA--C 1.532 0.405 0 C-N-CA 122.668 2.245 . . . . 10.0 111.54 178.434 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -55.27 -39.35 69.71 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 113.217 0.821 . . . . 10.0 113.217 -177.881 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 97.8 p -69.11 -9.73 54.16 Favored 'General case' 0 C--O 1.258 1.523 0 O-C-N 121.653 -0.654 . . . . 0.0 111.0 -177.251 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.429 HG23 ' HB2' ' A' ' 64' ' ' PRO . 91.1 t -82.51 -29.2 8.87 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.116 0 CA-C-N 119.462 1.028 . . . . 10.0 111.279 -178.579 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 68' ' ' TRP . . . . . 0.491 ' HA ' HD13 ' A' ' 71' ' ' ILE . 64.7 m95 -63.19 -15.78 58.05 Favored 'General case' 0 N--CA 1.466 0.351 0 CA-C-O 121.12 0.486 . . . . 10.0 111.377 -179.51 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 25.4 tptp -73.4 -18.38 61.16 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.893 -0.594 . . . . 10.0 111.529 -179.493 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 33.9 m-85 -96.13 8.38 43.96 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 111.848 0.314 . . . . 10.0 111.848 -178.667 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 71' ' ' ILE . . . . . 0.491 HD13 ' HA ' ' A' ' 68' ' ' TRP . 1.7 mp -89.42 127.03 42.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-O 121.005 0.431 . . . . 10.0 110.456 -179.917 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 4.7 mmp_? . . . . . 0 C--O 1.251 1.141 0 CA-C-O 118.431 -0.795 . . . . 10.0 110.071 -179.942 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.449 -0.482 0 CA-C-O 120.935 0.397 . . . . 10.0 110.156 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . -78.06 -37.05 47.56 Favored 'General case' 0 N--CA 1.454 -0.263 0 CA-C-N 116.196 -0.456 . . . . 10.0 110.964 -179.916 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 8.1 mp -72.4 -10.18 59.46 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.313 -0.403 . . . . 10.0 111.24 -179.812 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 9.5 tptt -74.68 -49.33 21.69 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.168 -0.469 . . . . 10.0 110.672 -179.627 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 7' ' ' ILE . . . . . . . . . . . . . 26.9 pt -76.63 -16.45 14.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.035 -0.529 . . . . 10.0 111.345 -179.374 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -75.63 -17.02 60.13 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.897 -0.592 . . . . 10.0 112.106 -179.287 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 9' ' ' ASN . . . . . . . . . . . . . 65.3 t30 -81.77 -5.4 58.13 Favored 'General case' 0 C--N 1.33 -0.28 0 C-N-CA 120.999 -0.28 . . . . 10.0 111.639 -178.89 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 10' ' ' ASN . . . . . 0.486 ' OD1' ' HB2' ' B' ' 12' ' ' ARG . 15.5 t-20 -122.08 128.88 51.86 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.233 0.539 . . . . 10.0 110.901 179.423 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 15.4 mt -61.38 -36.54 73.7 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-N 115.202 -0.908 . . . . 10.0 112.29 -178.456 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 12' ' ' ARG . . . . . 0.486 ' HB2' ' OD1' ' B' ' 10' ' ' ASN . 98.0 mtt180 -64.19 -51.13 65.25 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.746 -0.206 . . . . 10.0 111.475 -179.254 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 13' ' ' THR . . . . . 0.485 ' OG1' ' HB3' ' B' ' 10' ' ' ASN . 0.6 OUTLIER -66.64 -36.03 81.6 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.129 0.49 . . . . 10.0 110.862 179.896 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 11.6 tp -61.8 -38.54 88.47 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.524 -0.762 . . . . 10.0 110.969 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 15' ' ' ARG . . . . . 0.423 ' O ' ' HG2' ' B' ' 19' ' ' ARG . 62.3 mtt180 -61.88 -37.96 86.53 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.27 -0.423 . . . . 10.0 111.256 179.673 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 16' ' ' ALA . . . . . . . . . . . . . . . -67.69 -41.87 82.98 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.358 -0.383 . . . . 10.0 112.014 -179.124 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 17' ' ' GLN . . . . . 0.599 ' O ' ' HG2' ' B' ' 20' ' ' GLU . 0.9 OUTLIER -74.11 -27.23 60.77 Favored 'General case' 0 C--N 1.327 -0.392 0 C-N-CA 120.946 -0.302 . . . . 10.0 110.948 -179.391 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -77.15 0.89 19.99 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.962 0.411 . . . . 10.0 111.214 179.808 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 19' ' ' ARG . . . . . 0.423 ' HG2' ' O ' ' B' ' 15' ' ' ARG . 20.8 mmt180 -88.78 -8.88 53.63 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.293 -0.412 . . . . 10.0 110.77 179.833 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 20' ' ' GLU . . . . . 0.599 ' HG2' ' O ' ' B' ' 17' ' ' GLN . 11.2 pt-20 -107.44 8.72 29.65 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.156 0.503 . . . . 10.0 110.845 -179.821 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 21' ' ' CYS . . . . . 0.456 ' SG ' HD13 ' C' ' 5' ' ' LEU . 65.5 m -127.49 133.99 49.84 Favored 'General case' 0 CA--C 1.511 -0.552 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.967 179.571 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -66.81 159.05 28.94 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 116.325 -0.398 . . . . 10.0 110.68 178.16 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 23' ' ' LEU . . . . . 0.612 HD21 ' HD2' ' C' ' 41' ' ' ARG . 29.6 tp -50.84 -44.38 59.41 Favored 'General case' 0 C--N 1.33 -0.26 0 O-C-N 123.445 0.466 . . . . 10.0 111.646 -179.323 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -53.64 -49.32 68.16 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.917 -0.583 . . . . 10.0 112.055 -179.462 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -61.28 -40.46 94.2 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.469 -0.332 . . . . 10.0 111.235 -179.844 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 82.5 mt -64.01 -44.91 91.18 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.02 -0.536 . . . . 10.0 110.434 -179.873 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 8.8 mt-10 -66.1 -43.22 87.87 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.257 -0.428 . . . . 10.0 110.538 179.339 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 15.2 tt0 -61.37 -46.1 91.62 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.119 -0.491 . . . . 10.0 111.24 -179.728 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 29' ' ' MET . . . . . . . . . . . . . 20.7 ptp -68.5 -31.67 71.09 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.685 -0.234 . . . . 10.0 110.99 -179.355 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 52.3 tp -64.82 -43.43 93.15 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 109.736 -0.468 . . . . 10.0 109.736 179.576 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 -63.71 -40.45 96.79 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.72 -0.673 . . . . 10.0 110.476 179.007 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -66.34 -40.32 89.77 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.802 -0.635 . . . . 10.0 110.862 179.831 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 33' ' ' LEU . . . . . 0.459 ' O ' HG23 ' B' ' 37' ' ' VAL . 26.7 tp -70.96 -37.25 72.78 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.035 0.445 . . . . 10.0 110.034 179.057 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 5.2 tp10 -55.5 -52.21 64.43 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.675 -0.693 . . . . 10.0 111.539 179.845 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 35' ' ' VAL . . . . . . . . . . . . . 34.5 m -64.95 -29.85 48.61 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.109 0 CA-C-N 116.65 -0.25 . . . . 10.0 111.494 -179.235 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 24.3 t -69.6 -46.61 75.0 Favored 'Isoleucine or valine' 0 C--O 1.234 0.261 0 N-CA-C 109.709 -0.478 . . . . 10.0 109.709 179.02 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 37' ' ' VAL . . . . . 0.459 HG23 ' O ' ' B' ' 33' ' ' LEU . 48.6 t -65.09 -35.12 74.69 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.161 0 N-CA-C 109.087 -0.709 . . . . 10.0 109.087 178.336 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 56.3 t30 -62.61 -40.68 97.74 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.721 -0.672 . . . . 10.0 109.726 178.699 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 39' ' ' GLU . . . . . 0.516 ' O ' ' HG3' ' B' ' 43' ' ' GLU . 79.7 mt-10 -61.13 -47.39 86.46 Favored 'General case' 0 CA--C 1.52 -0.183 0 CA-C-N 116.026 -0.534 . . . . 10.0 109.76 178.694 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 7.9 mmm180 -64.1 -42.85 96.75 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.894 -0.594 . . . . 10.0 110.191 179.487 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 41' ' ' ARG . . . . . 0.418 HH21 ' CD ' ' C' ' 27' ' ' GLU . 82.8 mtt180 -60.34 -39.85 88.58 Favored 'General case' 0 CA--C 1.521 -0.144 0 CA-C-N 116.119 -0.492 . . . . 10.0 110.271 179.542 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 7.0 tp10 -60.08 -50.93 71.77 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.886 -0.597 . . . . 10.0 109.957 178.851 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 43' ' ' GLU . . . . . 0.516 ' HG3' ' O ' ' B' ' 39' ' ' GLU . 59.0 mt-10 -64.93 -38.45 91.02 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.044 -0.526 . . . . 10.0 110.54 -179.874 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 2.5 tp10 -62.91 -34.62 77.83 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.931 -0.577 . . . . 10.0 111.793 -179.563 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 45' ' ' SER . . . . . . . . . . . . . 3.2 p -92.48 -26.14 18.1 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 112.131 0.419 . . . . 10.0 112.131 -178.76 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.327 -0.373 0 CA-C-O 120.637 0.256 . . . . 10.0 111.359 179.946 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' C' C ' 3' ' ' GLU . . . . . . . . . . . . . 2.7 mp0 . . . . . 0 CA--C 1.528 0.112 0 CA-C-O 120.985 0.421 . . . . 10.0 111.625 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' C' C ' 4' ' ' ALA . . . . . . . . . . . . . . . -81.2 12.28 3.61 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 112.639 0.607 . . . . 10.0 112.639 -178.895 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 5' ' ' LEU . . . . . 0.456 HD13 ' SG ' ' B' ' 21' ' ' CYS . 78.2 mt -124.97 -22.64 4.42 Favored 'General case' 0 C--N 1.328 -0.363 0 C-N-CA 121.055 -0.258 . . . . 10.0 111.517 -179.404 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 6' ' ' LYS . . . . . . . . . . . . . 20.3 tptm -59.1 -48.14 82.68 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 111.789 0.292 . . . . 10.0 111.789 -178.91 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 7' ' ' ILE . . . . . 0.481 HD13 ' H ' ' C' ' 7' ' ' ILE . 0.3 OUTLIER -68.74 -16.36 20.82 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 116.402 -0.363 . . . . 10.0 111.832 -179.523 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' C' C ' 8' ' ' LEU . . . . . . . . . . . . . 3.1 mp -83.74 -17.5 41.01 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.988 0.423 . . . . 10.0 111.361 -179.514 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 9' ' ' ASN . . . . . . . . . . . . . 8.0 t-20 -85.5 -7.59 58.81 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.184 -0.462 . . . . 10.0 111.67 -178.525 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 10' ' ' ASN . . . . . 0.489 ' HB2' ' OG1' ' C' ' 13' ' ' THR . 84.8 m-20 -103.73 119.86 39.77 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 109.817 -0.438 . . . . 10.0 109.817 179.399 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 11' ' ' ILE . . . . . . . . . . . . . 12.2 tt -62.27 -27.22 42.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.673 0.273 . . . . 10.0 111.168 -179.213 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 12' ' ' ARG . . . . . . . . . . . . . 38.4 mmt180 -63.57 -53.56 49.78 Favored 'General case' 0 C--O 1.234 0.275 0 CA-C-N 116.588 -0.278 . . . . 10.0 110.542 179.689 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 13' ' ' THR . . . . . 0.489 ' OG1' ' HB2' ' C' ' 10' ' ' ASN . 0.7 OUTLIER -72.28 -37.47 69.03 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.345 -0.389 . . . . 10.0 111.092 179.901 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' C' C ' 14' ' ' LEU . . . . . . . . . . . . . 16.9 tp -59.83 -47.79 84.31 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.03 -0.532 . . . . 10.0 110.863 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 15' ' ' ARG . . . . . 0.416 HH11 ' HD2' ' C' ' 15' ' ' ARG . 36.6 ttm105 -68.46 -23.4 64.59 Favored 'General case' 0 CA--C 1.533 0.297 0 CA-C-O 121.08 0.467 . . . . 10.0 110.787 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 16' ' ' ALA . . . . . . . . . . . . . . . -80.04 -51.3 9.2 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.312 -0.404 . . . . 10.0 110.718 -179.874 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 17' ' ' GLN . . . . . . . . . . . . . 56.3 mt-30 -73.5 -9.89 59.15 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.29 -0.414 . . . . 10.0 111.701 -179.081 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 18' ' ' ALA . . . . . . . . . . . . . . . -74.58 -6.37 48.18 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.004 0.43 . . . . 10.0 110.532 178.945 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.64 -1.88 57.86 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.004 -0.543 . . . . 10.0 110.243 179.704 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 20' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -72.01 -29.82 64.59 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.85 -0.614 . . . . 10.0 110.787 -179.568 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 21' ' ' CYS . . . . . . . . . . . . . 72.9 m -135.1 160.15 39.27 Favored 'General case' 0 CA--C 1.51 -0.558 0 CA-C-O 121.572 0.701 . . . . 0.0 110.959 -179.806 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 22' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -78.04 168.84 19.26 Favored 'General case' 0 C--O 1.235 0.331 0 CA-C-N 115.445 -0.798 . . . . 10.0 111.079 179.144 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 23.7 tp -57.07 -27.88 62.09 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-N 116.334 -0.394 . . . . 10.0 111.319 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 24' ' ' GLU . . . . . . . . . . . . . 7.5 tp10 -52.86 -62.95 1.32 Allowed 'General case' 0 N--CA 1.463 0.187 0 CA-C-N 116.027 -0.533 . . . . 10.0 110.83 179.726 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 25' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -66.4 -35.89 81.47 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.317 -0.401 . . . . 10.0 111.236 -179.696 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 26' ' ' LEU . . . . . . . . . . . . . 34.8 mt -61.44 -42.3 98.54 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.106 -0.497 . . . . 10.0 111.264 -179.87 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 27' ' ' GLU . . . . . 0.418 ' CD ' HH21 ' B' ' 41' ' ' ARG . 12.1 tt0 -69.13 -46.85 66.61 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.497 -0.319 . . . . 10.0 111.447 -179.246 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 28' ' ' GLU . . . . . 0.431 ' O ' ' HG3' ' C' ' 32' ' ' LYS . 32.5 tt0 -59.08 -37.34 76.86 Favored 'General case' 0 N--CA 1.464 0.254 0 O-C-N 123.055 0.222 . . . . 10.0 111.096 -179.062 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 29' ' ' MET . . . . . . . . . . . . . 19.2 ptp -81.34 -29.53 34.09 Favored 'General case' 0 C--N 1.331 -0.236 0 C-N-CA 120.85 -0.34 . . . . 10.0 111.086 179.641 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 30' ' ' LEU . . . . . . . . . . . . . 11.0 tp -64.1 -47.06 81.49 Favored 'General case' 0 C--O 1.235 0.31 0 CA-C-O 120.952 0.406 . . . . 10.0 110.452 179.631 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 31' ' ' GLU . . . . . 0.468 ' HA ' ' OE2' ' C' ' 34' ' ' GLU . 38.3 mt-10 -64.13 -22.19 66.84 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.448 -0.796 . . . . 10.0 111.062 -179.626 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 32' ' ' LYS . . . . . 0.431 ' HG3' ' O ' ' C' ' 28' ' ' GLU . 93.3 mttt -82.06 -28.68 32.29 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.112 0.482 . . . . 10.0 110.744 179.188 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 33' ' ' LEU . . . . . . . . . . . . . 22.9 tp -77.83 -43.67 29.7 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 116.225 -0.443 . . . . 10.0 112.155 -178.653 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 34' ' ' GLU . . . . . 0.468 ' OE2' ' HA ' ' C' ' 31' ' ' GLU . 13.2 pt-20 -58.93 -35.11 72.55 Favored 'General case' 0 C--N 1.33 -0.26 0 N-CA-C 112.335 0.494 . . . . 10.0 112.335 -178.303 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 35' ' ' VAL . . . . . . . . . . . . . 27.7 m -72.52 -32.08 40.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 C-N-CA 120.464 -0.494 . . . . 10.0 110.835 179.556 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 36' ' ' VAL . . . . . . . . . . . . . 42.0 t -66.96 -44.22 88.73 Favored 'Isoleucine or valine' 0 C--O 1.235 0.291 0 CA-C-O 121.103 0.477 . . . . 10.0 110.229 179.533 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 37' ' ' VAL . . . . . . . . . . . . . 59.0 t -59.92 -37.28 71.46 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 115.734 -0.666 . . . . 10.0 109.909 179.128 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 38' ' ' ASN . . . . . 0.457 ' O ' ' HG3' ' C' ' 42' ' ' GLU . 2.4 t30 -63.14 -40.14 96.72 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.025 -0.534 . . . . 10.0 110.858 179.628 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 39' ' ' GLU . . . . . 0.53 ' O ' ' HG3' ' C' ' 43' ' ' GLU . 2.9 mt-10 -61.99 -43.77 98.14 Favored 'General case' 0 CA--C 1.521 -0.156 0 N-CA-C 109.335 -0.617 . . . . 10.0 109.335 178.989 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 40' ' ' ARG . . . . . 0.596 ' HD2' ' OE1' ' C' ' 43' ' ' GLU . 8.3 mmm180 -63.94 -34.37 77.82 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.682 -0.69 . . . . 10.0 109.612 178.963 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 41' ' ' ARG . . . . . 0.612 ' HD2' HD21 ' B' ' 23' ' ' LEU . 11.3 mmm180 -62.83 -46.49 87.71 Favored 'General case' 0 C--N 1.332 -0.167 0 N-CA-C 109.269 -0.641 . . . . 10.0 109.269 178.268 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 42' ' ' GLU . . . . . 0.457 ' HG3' ' O ' ' C' ' 38' ' ' ASN . 44.4 mt-10 -58.95 -36.05 74.17 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.549 -0.75 . . . . 10.0 111.05 -179.867 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 43' ' ' GLU . . . . . 0.596 ' OE1' ' HD2' ' C' ' 40' ' ' ARG . 46.2 mt-10 -72.01 -47.01 54.98 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.78 0.324 . . . . 10.0 110.749 179.914 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 44' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.326 -0.423 0 CA-C-N 116.078 -0.51 . . . . 10.0 111.082 -179.58 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 5.0 mp . . . . . 0 N--CA 1.481 1.092 0 N-CA-C 109.807 -0.442 . . . . 10.0 109.807 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -72.95 147.57 45.11 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 120.658 0.266 . . . . 10.0 111.529 -179.507 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 8' ' ' LYS . . . . . 0.444 ' HD2' ' HB2' ' A' ' 45' ' ' SER . 29.2 pttt -64.46 -27.62 69.11 Favored 'General case' 0 CA--C 1.531 0.226 0 CA-C-O 121.046 0.45 . . . . 10.0 110.488 179.528 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -67.82 -29.45 68.61 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.829 -0.623 . . . . 10.0 111.291 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -63.98 -52.21 60.66 Favored 'General case' 0 CA--C 1.52 -0.2 0 CA-C-O 121.121 0.486 . . . . 10.0 109.864 179.878 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' TYR . . . . . 0.422 ' HB2' ' CB ' ' A' ' 46' ' ' ALA . 6.8 m-85 -63.11 -39.47 94.77 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.612 -0.722 . . . . 10.0 109.908 179.852 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 40.9 tp -57.82 -46.49 84.62 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.766 -0.652 . . . . 10.0 110.88 179.768 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 38.8 mmm -65.52 -38.34 89.38 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.214 -0.448 . . . . 10.0 111.133 -179.751 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.27 -35.92 81.65 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.277 -0.42 . . . . 10.0 110.285 179.316 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.403 ' HG ' ' O ' ' A' ' 11' ' ' TYR . 92.6 mt -80.32 -9.46 59.74 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.018 -0.537 . . . . 10.0 111.429 -179.661 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -72.4 -12.56 61.16 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.449 -0.341 . . . . 10.0 110.549 179.661 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 84.3 mtm-85 -86.58 -7.03 58.7 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.297 -0.411 . . . . 10.0 111.219 -179.866 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 3.9 m -102.71 135.03 45.1 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.421 -0.354 . . . . 10.0 110.43 -179.825 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' GLN . . . . . 0.426 ' HA ' HD11 ' A' ' 54' ' ' LEU . 1.2 mm-40 -131.24 178.46 6.68 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.352 -0.385 . . . . 10.0 110.529 -179.909 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 20' ' ' THR . . . . . 0.424 ' C ' ' H ' ' A' ' 22' ' ' ASP . 2.1 m 68.31 -5.15 0.95 Allowed 'General case' 0 CA--C 1.539 0.523 0 CA-C-N 115.597 -0.728 . . . . 10.0 112.35 179.299 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.415 HD11 ' HA ' ' A' ' 55' ' ' THR . 68.1 mt 73.29 -37.34 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.47 0.544 0 C-N-CA 123.308 0.643 . . . . 10.0 111.267 -179.578 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 22' ' ' ASP . . . . . 0.424 ' H ' ' C ' ' A' ' 20' ' ' THR . 7.5 t70 -49.13 -50.98 34.88 Favored 'General case' 0 N--CA 1.465 0.29 0 C-N-CA 123.438 0.695 . . . . 10.0 111.648 179.332 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 2.2 m -67.54 -34.41 77.03 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.027 -0.533 . . . . 10.0 111.45 -179.884 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.51 ' O ' HG12 ' A' ' 27' ' ' VAL . 31.3 tp -69.5 -42.77 74.29 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.296 -0.411 . . . . 10.0 111.062 -179.344 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 7.8 tp10 -56.27 -47.78 77.91 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.181 0.515 . . . . 10.0 110.788 179.819 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 2.9 mtm105 -75.21 -28.96 60.16 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.148 -0.478 . . . . 10.0 111.838 -179.18 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.51 HG12 ' O ' ' A' ' 24' ' ' LEU . 0.7 OUTLIER -71.74 -38.22 65.33 Favored 'Isoleucine or valine' 0 C--O 1.234 0.262 0 C-N-CA 120.879 -0.328 . . . . 10.0 111.084 -179.196 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.427 HG12 ' O ' ' A' ' 24' ' ' LEU . 45.7 pt -79.1 -28.81 13.7 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.191 0 CA-C-O 120.849 0.357 . . . . 10.0 110.148 179.504 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 13.0 tp10 -70.82 -43.46 68.56 Favored 'General case' 0 N--CA 1.452 -0.346 0 CA-C-N 115.917 -0.583 . . . . 10.0 109.97 179.526 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 27.2 mttp -64.26 -39.73 94.55 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.988 -0.551 . . . . 10.0 110.879 179.425 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 9.9 m120 -75.15 -21.64 58.66 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.356 -0.384 . . . . 10.0 110.938 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 32.8 ttmt -59.35 -33.5 71.23 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.392 -0.367 . . . . 10.0 111.306 -179.623 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 3.8 m-85 -94.76 8.54 42.2 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.777 0.323 . . . . 10.0 110.744 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 59.7 mt-10 -116.27 -24.76 7.81 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.94 0.4 . . . . 10.0 111.052 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 14.7 mt -68.61 155.3 40.27 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.871 -0.604 . . . . 10.0 110.61 179.83 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' SER . . . . . 0.547 ' HB2' ' OD1' ' A' ' 38' ' ' ASN . 0.7 OUTLIER -101.13 15.7 27.87 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 115.952 -0.567 . . . . 10.0 110.531 -178.834 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 37' ' ' ASP . . . . . 0.468 ' HB2' ' O ' ' A' ' 36' ' ' SER . 98.5 m-20 76.54 -38.96 0.34 Allowed 'General case' 0 C--O 1.257 1.459 0 C-N-CA 124.546 1.138 . . . . 0.0 111.0 177.922 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 38' ' ' ASN . . . . . 0.547 ' OD1' ' HB2' ' A' ' 36' ' ' SER . 23.5 p-10 -65.53 -33.66 76.44 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 121.027 -1.046 . . . . 10.0 111.68 -179.007 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -93.13 -18.47 22.55 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 109.34 -0.615 . . . . 10.0 109.34 178.743 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 47.0 tp -63.52 -32.4 73.84 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.387 -0.824 . . . . 10.0 110.323 179.771 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -58.06 -44.89 87.73 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 115.767 -0.652 . . . . 10.0 111.515 -179.922 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 31.6 m -87.66 -14.68 9.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.624 0.25 . . . . 10.0 111.143 -179.922 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 59.7 t80 -68.74 -30.63 69.29 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 109.582 -0.525 . . . . 10.0 109.582 178.916 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 11.8 m-85 -62.2 -37.83 86.83 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.711 -0.677 . . . . 10.0 110.711 179.224 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' SER . . . . . 0.474 ' O ' ' HB2' ' A' ' 49' ' ' HIS . 0.0 OUTLIER -64.82 -14.18 58.36 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.074 -0.512 . . . . 10.0 111.224 -179.848 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.422 ' CB ' ' HB2' ' A' ' 11' ' ' TYR . . . -103.6 -44.36 5.12 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 109.765 -0.458 . . . . 10.0 109.765 178.893 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -62.72 -55.69 24.36 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.847 -0.615 . . . . 10.0 110.958 179.814 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 48' ' ' ASP . . . . . 0.404 ' HB3' ' CH2' ' A' ' 68' ' ' TRP . 0.8 OUTLIER -60.24 -44.98 94.76 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 121.063 0.459 . . . . 10.0 110.129 179.69 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 49' ' ' HIS . . . . . 0.474 ' HB2' ' O ' ' A' ' 45' ' ' SER . 3.5 t60 -57.73 -47.66 81.81 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.905 -0.589 . . . . 10.0 110.882 -179.751 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 31.6 tpt180 -68.93 -40.55 78.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.329 -0.396 . . . . 10.0 110.733 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 22.4 tp -60.25 -41.8 93.98 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.8 0.333 . . . . 10.0 110.811 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 52' ' ' ALA . . . . . 0.478 ' HA ' HD11 ' A' ' 71' ' ' ILE . . . -61.07 -53.11 61.22 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.197 -0.456 . . . . 10.0 111.705 -179.766 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 20.9 pt-20 -67.95 -31.24 70.84 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.242 -0.435 . . . . 10.0 110.874 -179.315 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.426 HD11 ' HA ' ' A' ' 19' ' ' GLN . 16.6 tp -69.86 -38.32 76.38 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.063 -0.517 . . . . 10.0 111.038 -179.754 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 55' ' ' THR . . . . . 0.415 ' HA ' HD11 ' A' ' 21' ' ' ILE . 48.1 m -65.67 -39.52 91.41 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.064 0.459 . . . . 10.0 110.419 179.708 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 60.9 mmm -83.59 -7.11 59.58 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.124 -0.489 . . . . 10.0 110.32 179.51 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 33.9 t30 58.4 30.36 19.52 Favored 'General case' 0 N--CA 1.461 0.121 0 CA-C-N 115.42 -0.809 . . . . 10.0 110.228 -179.616 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -142.89 123.29 13.9 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.44 -0.8 . . . . 10.0 110.046 -179.216 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 8.5 mp -70.56 133.48 46.79 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.494 -0.321 . . . . 10.0 110.554 -179.803 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 40.3 m-85 -139.09 127.35 22.69 Favored 'General case' 0 C--O 1.238 0.474 0 CA-C-O 120.906 0.384 . . . . 10.0 110.552 -179.741 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 19.2 p-10 -65.69 -42.06 91.68 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.138 -0.483 . . . . 10.0 109.971 179.608 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 38.0 mttp -114.92 113.91 24.79 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 109.154 -0.684 . . . . 10.0 109.154 178.276 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.423 ' HA ' ' HD3' ' A' ' 64' ' ' PRO . 45.6 mm -76.96 131.71 72.6 Favored Pre-proline 0 C--N 1.319 -0.732 0 CA-C-N 115.855 -0.611 . . . . 10.0 111.678 -178.492 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 64' ' ' PRO . . . . . 0.423 ' HD3' ' HA ' ' A' ' 63' ' ' ILE . 10.4 Cg_exo -70.55 137.76 33.84 Favored 'Trans proline' 0 C--N 1.349 0.599 0 C-N-CA 122.552 2.168 . . . . 10.0 111.347 178.44 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -71.36 6.77 1.59 Allowed 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 112.961 0.726 . . . . 10.0 112.961 -178.132 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 88.6 p -117.88 -7.12 10.97 Favored 'General case' 0 C--O 1.245 0.855 0 O-C-N 121.689 -0.632 . . . . 0.0 110.987 -179.865 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 5.1 p -73.93 -20.68 17.82 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.776 0 CA-C-O 121.053 0.454 . . . . 10.0 111.532 -178.05 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 68' ' ' TRP . . . . . 0.688 ' HB2' HG21 ' C' ' 35' ' ' VAL . 63.0 m95 -65.67 -17.09 64.35 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.003 -0.544 . . . . 10.0 111.397 -179.278 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 2.2 tppp? -73.27 -18.16 61.25 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.011 0.434 . . . . 10.0 110.722 179.534 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 81.1 m-85 -99.95 9.72 42.47 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.467 -0.333 . . . . 10.0 111.133 -179.41 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 71' ' ' ILE . . . . . 0.478 HD11 ' HA ' ' A' ' 52' ' ' ALA . 13.2 mt -122.47 138.49 52.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-O 120.577 0.227 . . . . 10.0 110.958 -179.024 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 19.8 mtp85 . . . . . 0 C--O 1.249 1.031 0 CA-C-O 118.511 -0.756 . . . . 10.0 110.135 179.865 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' B' B ' 3' ' ' GLU . . . . . 0.419 ' O ' ' HB3' ' B' ' 6' ' ' LYS . 0.1 OUTLIER . . . . . 0 N--CA 1.456 -0.13 0 CA-C-O 120.855 0.36 . . . . 10.0 110.956 . . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . -62.58 -36.95 84.33 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.01 0.433 . . . . 10.0 111.289 -179.92 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 8.6 mp -74.66 -12.01 60.33 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.084 -0.507 . . . . 10.0 111.338 -179.411 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 6' ' ' LYS . . . . . 0.419 ' HB3' ' O ' ' B' ' 3' ' ' GLU . 27.7 ttpt -68.4 -42.02 79.63 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.963 0.411 . . . . 10.0 110.79 179.879 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 7' ' ' ILE . . . . . . . . . . . . . 22.1 pt -89.98 -7.58 10.78 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 CA-C-N 116.262 -0.426 . . . . 10.0 111.53 -179.062 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 9.8 tp -84.83 -5.15 59.33 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.27 0.557 . . . . 10.0 110.148 -179.908 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 9' ' ' ASN . . . . . . . . . . . . . 53.5 t30 -95.13 -6.54 41.62 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.836 -0.62 . . . . 10.0 111.372 -179.331 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 10' ' ' ASN . . . . . . . . . . . . . 23.0 t-20 -126.93 121.16 30.97 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.979 0.419 . . . . 10.0 111.09 -179.427 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 3.4 pt -63.52 -37.55 79.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 N-CA-C 113.057 0.762 . . . . 10.0 113.057 -178.56 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 12' ' ' ARG . . . . . . . . . . . . . 17.6 mtt180 -62.5 -44.29 96.73 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 112.123 0.416 . . . . 10.0 112.123 -178.035 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 13' ' ' THR . . . . . . . . . . . . . 22.8 m -76.35 -39.61 53.43 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 120.95 0.405 . . . . 10.0 110.822 179.875 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 31.6 tp -63.04 -36.78 84.69 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.92 -0.582 . . . . 10.0 110.919 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 40.6 mtt180 -53.48 -47.58 69.68 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.1 -0.5 . . . . 10.0 111.313 179.904 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 16' ' ' ALA . . . . . . . . . . . . . . . -59.81 -43.25 94.57 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.064 -0.516 . . . . 10.0 112.228 -178.794 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 17' ' ' GLN . . . . . . . . . . . . . 1.3 mp0 -72.04 -25.11 61.66 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 116.413 -0.358 . . . . 10.0 111.351 -179.317 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -79.46 -7.92 58.76 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.464 -0.334 . . . . 10.0 111.259 179.791 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 15.4 mmm180 -79.73 -11.54 59.84 Favored 'General case' 0 C--N 1.327 -0.383 0 C-N-CA 121.085 -0.246 . . . . 10.0 111.011 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 1.5 pt-20 -94.05 -2.48 52.84 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-O 120.935 0.397 . . . . 10.0 111.143 -179.709 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 21' ' ' CYS . . . . . 1.66 ' SG ' ' HB ' ' B' ' 25' ' ' THR . 53.8 t -117.31 147.09 42.9 Favored 'General case' 0 CA--C 1.51 -0.563 0 CA-C-O 120.764 0.316 . . . . 0.0 111.008 178.592 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -81.5 171.08 15.12 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.406 -0.361 . . . . 10.0 110.306 179.09 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 31.5 tp -55.51 -44.45 76.63 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.372 -0.376 . . . . 10.0 111.552 -179.76 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -59.84 -48.58 81.12 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.818 0.342 . . . . 10.0 111.74 -179.86 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 25' ' ' THR . . . . . 1.66 ' HB ' ' SG ' ' B' ' 21' ' ' CYS . 0.2 OUTLIER -61.64 -42.69 99.25 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 121.009 0.433 . . . . 10.0 111.543 -179.542 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 26' ' ' LEU . . . . . 0.433 ' O ' ' HG3' ' B' ' 29' ' ' MET . 86.5 mt -65.43 -44.4 87.45 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.091 -0.504 . . . . 10.0 111.009 -179.678 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 27' ' ' GLU . . . . . 0.58 ' O ' ' HG3' ' B' ' 31' ' ' GLU . 6.7 mt-10 -64.56 -44.31 91.15 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.373 -0.376 . . . . 10.0 111.097 179.794 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 5.7 tt0 -56.99 -48.42 78.49 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.275 -0.421 . . . . 10.0 111.699 -178.928 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 29' ' ' MET . . . . . 0.433 ' HG3' ' O ' ' B' ' 26' ' ' LEU . 2.2 ppp? -72.97 -30.7 64.03 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.561 -0.29 . . . . 10.0 111.351 -179.231 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 66.3 tp -62.08 -45.32 94.04 Favored 'General case' 0 C--O 1.234 0.251 0 CA-C-O 120.948 0.404 . . . . 10.0 110.447 179.649 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 31' ' ' GLU . . . . . 0.58 ' HG3' ' O ' ' B' ' 27' ' ' GLU . 24.7 mt-10 -66.55 -32.13 73.29 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.877 -0.602 . . . . 10.0 110.721 -179.74 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 32' ' ' LYS . . . . . 0.566 ' O ' HG22 ' B' ' 35' ' ' VAL . 48.7 mttt -70.92 -37.22 72.9 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.903 0.382 . . . . 10.0 110.758 179.436 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 33' ' ' LEU . . . . . 0.416 ' O ' HG23 ' B' ' 37' ' ' VAL . 48.5 tp -71.77 -38.55 70.33 Favored 'General case' 0 C--N 1.322 -0.591 0 C-N-CA 120.89 -0.324 . . . . 10.0 110.807 179.809 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 34' ' ' GLU . . . . . 0.545 ' HG3' ' N ' ' B' ' 35' ' ' VAL . 0.1 OUTLIER -63.79 -35.26 80.02 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.403 -0.362 . . . . 10.0 111.463 -178.891 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 35' ' ' VAL . . . . . 0.577 HG13 ' O ' ' B' ' 31' ' ' GLU . 13.6 m -69.08 -34.16 62.27 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.175 0 C-N-CA 120.339 -0.544 . . . . 10.0 110.368 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 96.0 t -68.56 -42.08 83.34 Favored 'Isoleucine or valine' 0 C--O 1.232 0.149 0 N-CA-C 109.626 -0.509 . . . . 10.0 109.626 178.835 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 37' ' ' VAL . . . . . 0.416 HG23 ' O ' ' B' ' 33' ' ' LEU . 71.4 t -63.98 -36.93 78.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 N-CA-C 108.891 -0.781 . . . . 10.0 108.891 178.221 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -66.13 -37.48 85.81 Favored 'General case' 0 C--O 1.236 0.346 0 CA-C-N 115.445 -0.798 . . . . 10.0 109.825 178.317 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 39' ' ' GLU . . . . . 0.42 ' HG3' ' O ' ' B' ' 35' ' ' VAL . 89.0 mt-10 -63.85 -47.3 81.29 Favored 'General case' 0 CA--C 1.521 -0.155 0 CA-C-N 115.98 -0.555 . . . . 10.0 109.863 179.026 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 40' ' ' ARG . . . . . 0.495 HH22 ' HA ' ' C' ' 22' ' ' THR . 36.5 mmm-85 -62.79 -42.61 99.78 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.886 -0.597 . . . . 10.0 110.135 178.765 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 41' ' ' ARG . . . . . . . . . . . . . 52.7 mtt180 -56.0 -41.92 75.6 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.197 -0.456 . . . . 10.0 110.256 179.135 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 8.4 tp10 -66.39 -41.22 89.67 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.787 -0.642 . . . . 10.0 110.794 -179.809 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 27.3 mt-10 -66.37 -47.28 73.89 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.283 -0.417 . . . . 10.0 111.189 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -68.22 -31.92 71.76 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 113.228 0.825 . . . . 10.0 113.228 -178.609 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 45' ' ' SER . . . . . . . . . . . . . 10.2 p -75.76 -38.71 58.14 Favored 'General case' 0 C--N 1.324 -0.503 0 C-N-CA 120.668 -0.413 . . . . 10.0 111.073 -179.599 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.435 0 CA-C-O 121.027 0.441 . . . . 10.0 111.342 -179.931 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' C' C ' 3' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.235 0.304 0 CA-C-O 121.043 0.449 . . . . 10.0 111.058 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 4' ' ' ALA . . . . . . . . . . . . . . . -61.98 -36.81 82.58 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.642 -0.708 . . . . 10.0 112.206 -179.171 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 5' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -74.01 -15.03 61.1 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.342 -0.39 . . . . 10.0 111.403 -179.265 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 6' ' ' LYS . . . . . . . . . . . . . 21.6 tptm -82.23 -49.57 9.94 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.712 0.292 . . . . 10.0 111.267 -179.267 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 7' ' ' ILE . . . . . . . . . . . . . 10.3 pt -65.24 -27.17 41.41 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 116.503 -0.317 . . . . 10.0 111.658 -179.236 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 8' ' ' LEU . . . . . . . . . . . . . 3.1 mp -78.81 -7.0 57.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.237 -0.438 . . . . 10.0 111.698 -179.433 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 9' ' ' ASN . . . . . . . . . . . . . 17.3 t-20 -88.38 -10.56 48.94 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.235 0.541 . . . . 10.0 110.272 179.911 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 10' ' ' ASN . . . . . . . . . . . . . 66.6 m-20 -101.71 125.41 48.37 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.888 -0.596 . . . . 10.0 109.938 -179.711 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 11' ' ' ILE . . . . . . . . . . . . . 9.8 tp -61.35 -28.07 43.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-N 116.039 -0.528 . . . . 10.0 111.677 -179.174 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 12' ' ' ARG . . . . . . . . . . . . . 38.0 mmt180 -64.68 -55.27 21.1 Favored 'General case' 0 C--O 1.233 0.22 0 CA-C-O 120.725 0.298 . . . . 10.0 111.21 -179.915 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 13' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -70.96 -34.21 71.21 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.446 -0.343 . . . . 10.0 111.704 -179.543 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 14' ' ' LEU . . . . . . . . . . . . . 13.3 tp -58.36 -50.94 71.85 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.096 -0.502 . . . . 10.0 110.779 -179.63 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 15' ' ' ARG . . . . . 0.415 HH11 ' HD2' ' C' ' 15' ' ' ARG . 44.4 ttm180 -68.26 -24.78 64.93 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.886 -0.597 . . . . 10.0 110.715 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 16' ' ' ALA . . . . . . . . . . . . . . . -75.12 -45.74 39.07 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.322 -0.399 . . . . 10.0 111.467 -179.8 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 17' ' ' GLN . . . . . . . . . . . . . 34.5 mt-30 -72.42 -28.09 62.75 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.789 0.328 . . . . 10.0 111.036 -179.881 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 18' ' ' ALA . . . . . . . . . . . . . . . -70.48 -7.67 45.2 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.871 0.367 . . . . 10.0 111.562 -179.89 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 19' ' ' ARG . . . . . . . . . . . . . 48.6 ttm-85 -87.27 -10.82 51.39 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.967 0.413 . . . . 10.0 110.424 179.877 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 20' ' ' GLU . . . . . . . . . . . . . 84.8 mt-10 -78.64 -38.69 39.07 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.049 -0.523 . . . . 10.0 111.011 -179.646 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 21' ' ' CYS . . . . . . . . . . . . . 72.2 m -103.65 164.2 11.82 Favored 'General case' 0 CA--C 1.51 -0.562 0 CA-C-O 121.838 0.828 . . . . 0.0 111.04 -179.647 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 22' ' ' THR . . . . . 0.495 ' HA ' HH22 ' B' ' 40' ' ' ARG . 0.9 OUTLIER -90.05 170.39 10.38 Favored 'General case' 0 N--CA 1.446 -0.627 0 CA-C-N 115.055 -0.975 . . . . 10.0 110.541 179.175 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 49.5 tp -59.36 -30.39 68.36 Favored 'General case' 0 C--N 1.333 -0.125 0 N-CA-C 109.801 -0.444 . . . . 10.0 109.801 179.447 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 24' ' ' GLU . . . . . . . . . . . . . 4.3 tp10 -54.41 -56.17 21.34 Favored 'General case' 0 CA--C 1.532 0.283 0 CA-C-N 115.517 -0.765 . . . . 10.0 110.578 178.72 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 25' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -69.6 -39.32 77.31 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.289 -0.414 . . . . 10.0 111.379 -179.71 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 26' ' ' LEU . . . . . . . . . . . . . 98.8 mt -61.1 -43.04 99.5 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.14 -0.482 . . . . 10.0 111.524 -179.455 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 27' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -65.68 -44.28 86.71 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.516 -0.311 . . . . 10.0 111.669 -179.466 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 28' ' ' GLU . . . . . . . . . . . . . 19.8 tt0 -74.47 -8.88 57.77 Favored 'General case' 0 CA--C 1.536 0.431 0 N-CA-C 111.984 0.365 . . . . 10.0 111.984 -178.443 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 29' ' ' MET . . . . . . . . . . . . . 14.7 ptp -106.04 -27.01 11.4 Favored 'General case' 0 C--N 1.328 -0.337 0 O-C-N 121.863 -0.523 . . . . 10.0 110.273 178.591 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 30' ' ' LEU . . . . . . . . . . . . . 37.9 tp -63.05 -40.3 97.31 Favored 'General case' 0 C--O 1.234 0.239 0 CA-C-O 121.117 0.484 . . . . 10.0 109.869 179.01 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 31' ' ' GLU . . . . . 0.55 ' HA ' ' HG2' ' C' ' 34' ' ' GLU . 11.8 pt-20 -64.97 -29.8 70.75 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.437 -0.802 . . . . 10.0 111.163 -179.933 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 32' ' ' LYS . . . . . . . . . . . . . 22.3 mmtp -69.22 -34.01 74.19 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.05 -0.523 . . . . 10.0 110.504 -179.681 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 33' ' ' LEU . . . . . 0.419 ' O ' HG23 ' C' ' 37' ' ' VAL . 63.7 tp -83.1 -45.36 14.07 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 112.165 0.432 . . . . 10.0 112.165 -178.933 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 34' ' ' GLU . . . . . 0.55 ' HG2' ' HA ' ' C' ' 31' ' ' GLU . 7.7 pt-20 -60.01 -33.59 72.2 Favored 'General case' 0 C--O 1.234 0.257 0 C-N-CA 120.819 -0.352 . . . . 10.0 111.701 -178.54 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 35' ' ' VAL . . . . . 0.688 HG21 ' HB2' ' A' ' 68' ' ' TRP . 9.9 p -72.54 -40.09 62.54 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.459 0 C-N-CA 120.646 -0.422 . . . . 10.0 110.7 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 36' ' ' VAL . . . . . . . . . . . . . 40.8 t -61.97 -42.44 94.8 Favored 'Isoleucine or valine' 0 C--O 1.233 0.195 0 CA-C-O 120.962 0.411 . . . . 10.0 110.423 -179.83 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 37' ' ' VAL . . . . . 0.419 HG23 ' O ' ' C' ' 33' ' ' LEU . 46.2 t -64.01 -37.99 81.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 N-CA-C 109.654 -0.499 . . . . 10.0 109.654 179.121 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 38' ' ' ASN . . . . . 0.466 ' O ' ' HB2' ' C' ' 41' ' ' ARG . 1.7 m-20 -65.56 -32.2 73.66 Favored 'General case' 0 C--O 1.233 0.217 0 CA-C-N 115.708 -0.678 . . . . 10.0 110.516 179.356 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 39' ' ' GLU . . . . . 0.621 ' HG3' ' O ' ' C' ' 35' ' ' VAL . 34.9 mt-10 -67.61 -44.71 77.4 Favored 'General case' 0 C--O 1.234 0.275 0 N-CA-C 109.243 -0.651 . . . . 10.0 109.243 178.469 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 40' ' ' ARG . . . . . . . . . . . . . 8.7 mmm180 -64.04 -31.27 72.4 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.166 -0.925 . . . . 10.0 110.473 179.534 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 41' ' ' ARG . . . . . 0.466 ' HB2' ' O ' ' C' ' 38' ' ' ASN . 7.1 mmm180 -55.85 -55.22 35.15 Favored 'General case' 0 C--O 1.234 0.266 0 CA-C-N 115.685 -0.689 . . . . 10.0 110.466 178.925 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 42' ' ' GLU . . . . . . . . . . . . . 91.0 mt-10 -66.8 -38.86 87.33 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.429 -0.805 . . . . 10.0 111.215 -179.193 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 43' ' ' GLU . . . . . . . . . . . . . 28.7 mt-10 -59.17 -43.81 92.14 Favored 'General case' 0 N--CA 1.463 0.213 0 CA-C-O 121.037 0.446 . . . . 10.0 110.908 179.321 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 44' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.326 -0.414 0 CA-C-N 115.747 -0.66 . . . . 10.0 111.806 -179.048 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.481 1.119 0 CA-C-O 120.702 0.286 . . . . 10.0 110.313 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -88.59 152.88 21.55 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.441 -0.345 . . . . 10.0 110.338 179.891 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 15.9 tttt -61.13 -30.15 70.2 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.919 -0.582 . . . . 10.0 109.924 178.998 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -72.47 -33.56 67.09 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.694 -0.685 . . . . 10.0 111.596 179.521 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 65.3 m-20 -60.69 -53.45 57.24 Favored 'General case' 0 N--CA 1.465 0.278 0 CA-C-N 116.314 -0.403 . . . . 10.0 110.933 -178.807 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 24.7 m-85 -67.91 -33.69 75.19 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.14 -0.482 . . . . 10.0 110.33 -179.833 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 15.4 tp -60.08 -50.36 74.0 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.249 -0.432 . . . . 10.0 110.424 179.508 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -62.24 -38.77 90.51 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.986 0.422 . . . . 10.0 110.706 179.902 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.79 -40.59 95.74 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.87 -0.604 . . . . 10.0 110.766 179.625 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 84.6 mt -84.67 -12.9 52.97 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.205 -0.452 . . . . 10.0 111.512 -179.073 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' ARG . . . . . 0.537 ' HA ' ' NE ' ' A' ' 50' ' ' ARG . 42.5 mtt180 -77.89 -14.36 59.58 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.934 0.397 . . . . 10.0 110.789 179.781 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 93.9 mtm-85 -83.92 -8.27 59.22 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.366 0.603 . . . . 10.0 109.943 179.092 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 56.7 m -106.51 130.33 54.31 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.58 -0.736 . . . . 10.0 110.047 179.646 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 10.6 mm-40 -119.66 -159.52 0.78 Allowed 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.69 0.281 . . . . 10.0 110.418 -179.437 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' THR . . . . . 0.423 ' O ' ' HB ' ' A' ' 21' ' ' ILE . 2.1 m 71.29 -11.12 0.72 Allowed 'General case' 0 N--CA 1.468 0.463 0 N-CA-C 113.146 0.795 . . . . 10.0 113.146 178.324 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.423 ' HB ' ' O ' ' A' ' 20' ' ' THR . 65.2 mt 72.26 -58.96 0.28 Allowed 'Isoleucine or valine' 0 N--CA 1.47 0.556 0 C-N-CA 122.713 0.405 . . . . 10.0 111.039 -179.824 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 17.9 t70 -56.95 -44.18 82.31 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.123 -0.49 . . . . 10.0 110.646 179.652 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 4.6 m -58.82 -38.98 79.87 Favored 'General case' 0 CA--C 1.532 0.278 0 CA-C-N 115.871 -0.604 . . . . 10.0 110.765 179.303 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.446 ' HA ' HG12 ' A' ' 27' ' ' VAL . 18.5 tp -66.22 -44.41 83.9 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.249 -0.432 . . . . 10.0 110.02 179.21 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 25' ' ' GLU . . . . . 0.434 ' O ' ' HB2' ' A' ' 29' ' ' GLU . 6.8 tp10 -60.27 -30.59 69.55 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.321 0.581 . . . . 10.0 110.874 179.635 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 79.1 mtp180 -82.71 -35.7 26.51 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.928 -0.578 . . . . 10.0 111.946 -179.168 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.446 HG12 ' HA ' ' A' ' 24' ' ' LEU . 7.2 p -73.46 -37.11 49.97 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 C-N-CA 120.643 -0.423 . . . . 10.0 110.979 -179.514 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.428 HG12 ' O ' ' A' ' 24' ' ' LEU . 44.5 pt -73.04 -30.04 30.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-O 121.049 0.452 . . . . 10.0 110.018 179.333 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 29' ' ' GLU . . . . . 0.434 ' HB2' ' O ' ' A' ' 25' ' ' GLU . 22.8 tp10 -62.69 -52.47 63.17 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.779 -0.646 . . . . 10.0 110.302 179.656 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 27.3 mttp -65.49 -39.76 92.3 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.042 -0.526 . . . . 10.0 110.899 179.6 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' ASN . . . . . 0.497 ' O ' ' HG ' ' A' ' 35' ' ' LEU . 2.2 t30 -58.63 -37.07 75.12 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.739 -0.664 . . . . 10.0 111.772 -179.053 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 41.2 mtmt -64.02 -29.43 70.58 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.694 -0.23 . . . . 10.0 111.6 -179.491 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 8.8 m-85 -79.9 -18.23 51.1 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.06 0.457 . . . . 10.0 110.794 -179.48 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 74.8 mt-10 -97.09 -28.52 14.09 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.893 -0.594 . . . . 10.0 112.562 -178.534 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.497 ' HG ' ' O ' ' A' ' 31' ' ' ASN . 90.0 mt -63.27 159.97 16.77 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.204 0.526 . . . . 10.0 112.073 -179.13 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 36' ' ' SER . . . . . 0.521 ' O ' ' HB2' ' A' ' 37' ' ' ASP . 13.2 m -87.43 1.53 53.15 Favored 'General case' 0 N--CA 1.453 -0.314 0 CA-C-N 115.718 -0.674 . . . . 10.0 111.153 -179.407 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 37' ' ' ASP . . . . . 0.521 ' HB2' ' O ' ' A' ' 36' ' ' SER . 98.5 m-20 80.8 -26.95 0.14 Allowed 'General case' 0 C--O 1.254 1.325 0 C-N-CA 125.161 1.384 . . . . 0.0 111.041 177.339 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 38' ' ' ASN . . . . . 0.487 ' OD1' ' HB2' ' A' ' 36' ' ' SER . 4.1 p-10 -74.38 -22.85 58.99 Favored 'General case' 0 C--N 1.322 -0.589 0 O-C-N 121.061 -1.024 . . . . 10.0 111.597 -179.353 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -105.78 -2.7 22.88 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.108 0.48 . . . . 10.0 110.386 -179.942 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 46.3 tp -57.65 -33.36 68.22 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.419 -0.81 . . . . 10.0 111.21 -179.468 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -60.69 -40.59 92.77 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.118 0.485 . . . . 10.0 111.236 179.892 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 3.2 t -72.58 -42.03 63.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.079 -0.51 . . . . 10.0 110.16 -179.818 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 63.1 t80 -62.75 -43.77 97.94 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.492 -0.777 . . . . 10.0 110.685 179.777 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -60.77 -41.8 96.2 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.973 -0.558 . . . . 10.0 110.978 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 23.2 m -61.51 -42.06 98.24 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.983 -0.553 . . . . 10.0 111.465 -179.245 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -71.75 -43.38 65.9 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.243 -0.435 . . . . 10.0 110.922 -179.863 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -60.86 -43.81 97.87 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.203 -0.453 . . . . 10.0 111.235 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 13.7 t70 -59.66 -46.21 89.71 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.702 -0.681 . . . . 10.0 110.643 179.871 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 7.7 t60 -68.03 -35.94 79.1 Favored 'General case' 0 CA--C 1.532 0.282 0 CA-C-N 116.039 -0.528 . . . . 10.0 110.862 -179.762 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 50' ' ' ARG . . . . . 0.537 ' NE ' ' HA ' ' A' ' 16' ' ' ARG . 23.6 tpt180 -72.03 -41.13 67.86 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.415 -0.357 . . . . 10.0 111.337 -179.793 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 31.0 tp -60.86 -32.43 71.85 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.417 -0.356 . . . . 10.0 110.685 -179.743 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -60.89 -58.32 8.95 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.114 -0.494 . . . . 10.0 111.754 -179.836 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -67.02 -31.03 71.3 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.227 -0.442 . . . . 10.0 111.256 -179.009 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 9.2 tp -66.19 -43.82 85.72 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.31 -0.405 . . . . 10.0 110.492 -179.866 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 16.9 m -70.55 -32.75 70.3 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.986 0.422 . . . . 10.0 110.754 179.751 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 76.5 mmm -78.88 -5.87 54.69 Favored 'General case' 0 C--O 1.236 0.378 0 CA-C-N 115.965 -0.561 . . . . 10.0 111.703 -179.639 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 64.1 t30 59.37 36.54 23.36 Favored 'General case' 0 N--CA 1.463 0.21 0 CA-C-N 115.796 -0.638 . . . . 10.0 111.558 179.449 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 4.5 tppp? -164.54 130.31 2.85 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.328 -0.396 . . . . 10.0 109.971 179.613 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 8.9 mp -74.15 130.43 39.76 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-O 121.083 0.468 . . . . 10.0 111.261 -179.451 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 46.0 m-85 -131.5 132.04 43.91 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.85 -0.614 . . . . 10.0 109.638 179.716 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -64.99 -52.27 57.1 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 108.154 -1.054 . . . . 10.0 108.154 178.547 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 15.0 pttt -113.19 143.61 44.09 Favored 'General case' 0 C--N 1.32 -0.705 0 N-CA-C 107.98 -1.118 . . . . 10.0 107.98 177.85 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 35.8 mm -102.04 117.56 61.15 Favored Pre-proline 0 C--N 1.32 -0.678 0 C-N-CA 120.921 -0.312 . . . . 10.0 110.372 -179.092 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 34.8 Cg_exo -59.83 145.28 98.64 Favored 'Trans proline' 0 CA--C 1.53 0.316 0 C-N-CA 122.958 2.439 . . . . 10.0 112.803 179.555 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -50.12 -49.58 51.33 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 113.587 0.958 . . . . 10.0 113.587 -178.59 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 97.7 p -72.38 -9.23 58.25 Favored 'General case' 0 C--O 1.256 1.403 0 O-C-N 121.412 -0.805 . . . . 0.0 110.945 -177.152 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 38.8 t -82.48 -27.41 8.72 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.198 0 CA-C-N 119.355 0.98 . . . . 10.0 111.135 -178.486 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 68' ' ' TRP . . . . . 0.54 ' HB2' HG11 ' C' ' 35' ' ' VAL . 96.8 m95 -60.17 -20.88 60.58 Favored 'General case' 0 N--CA 1.465 0.292 0 CA-C-O 121.083 0.468 . . . . 10.0 110.85 179.819 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 5.6 tppp? -63.3 -27.28 69.22 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.731 -0.668 . . . . 10.0 111.541 179.884 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 36.5 m-85 -88.38 6.79 35.69 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.989 0.423 . . . . 10.0 111.618 -178.404 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 71' ' ' ILE . . . . . 0.413 HD13 ' HA ' ' A' ' 68' ' ' TRP . 1.8 mp -100.14 130.09 49.86 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 CA-C-N 116.273 -0.421 . . . . 10.0 109.934 179.725 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 64.7 mtp180 . . . . . 0 C--O 1.249 1.075 0 CA-C-O 118.773 -0.632 . . . . 10.0 110.406 -178.977 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.297 0 CA-C-O 120.81 0.338 . . . . 10.0 110.344 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . -72.27 -43.56 64.1 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.951 -0.568 . . . . 10.0 110.636 -179.923 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 5' ' ' LEU . . . . . 0.43 ' HG ' ' SD ' ' C' ' 29' ' ' MET . 10.3 mp -70.8 -10.96 60.62 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.715 -0.675 . . . . 10.0 110.756 -179.617 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 33.8 ttpt -74.09 -43.41 57.76 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 121.109 0.481 . . . . 10.0 110.753 179.816 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 7' ' ' ILE . . . . . . . . . . . . . 16.5 pt -91.46 -17.63 7.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 116.104 -0.498 . . . . 10.0 111.373 -179.271 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -74.53 -15.18 60.87 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.017 -0.538 . . . . 10.0 111.434 -179.815 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 9' ' ' ASN . . . . . . . . . . . . . 45.7 t30 -90.72 12.5 18.91 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 111.887 0.329 . . . . 10.0 111.887 -179.169 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 10' ' ' ASN . . . . . 0.412 ' OD1' ' HB2' ' B' ' 12' ' ' ARG . 12.3 t-20 -140.42 124.39 17.41 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.041 0.448 . . . . 10.0 110.326 179.284 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 51.4 mt -63.52 -36.54 76.72 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 CA-C-N 115.664 -0.698 . . . . 10.0 112.464 -179.065 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 12' ' ' ARG . . . . . 0.412 ' HB2' ' OD1' ' B' ' 10' ' ' ASN . 93.6 mtt180 -59.32 -51.64 69.08 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 111.812 0.301 . . . . 10.0 111.812 -178.878 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 13' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -68.04 -41.31 82.26 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.944 0.402 . . . . 10.0 110.597 179.408 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 12.3 tp -57.39 -43.61 83.79 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.765 -0.652 . . . . 10.0 111.163 -179.338 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 15' ' ' ARG . . . . . 0.474 ' O ' ' HG2' ' B' ' 19' ' ' ARG . 37.4 mtt85 -59.53 -36.11 75.51 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.366 -0.379 . . . . 10.0 111.09 179.674 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 16' ' ' ALA . . . . . . . . . . . . . . . -76.04 -47.61 24.09 Favored 'General case' 0 C--N 1.331 -0.235 0 N-CA-C 112.315 0.487 . . . . 10.0 112.315 -178.839 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 17' ' ' GLN . . . . . . . . . . . . . 1.6 mp0 -68.11 -27.6 66.6 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.774 0.321 . . . . 10.0 111.311 -179.183 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -73.05 -7.96 53.58 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.494 -0.321 . . . . 10.0 111.485 179.551 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 19' ' ' ARG . . . . . 0.474 ' HG2' ' O ' ' B' ' 15' ' ' ARG . 24.6 mmm180 -75.93 -19.07 59.07 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.487 -0.324 . . . . 10.0 110.781 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 1.8 pt-20 -81.19 -9.74 59.74 Favored 'General case' 0 C--N 1.331 -0.234 0 C-N-CA 120.665 -0.414 . . . . 10.0 110.955 -179.617 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 21' ' ' CYS . . . . . 0.665 ' SG ' HD21 ' B' ' 26' ' ' LEU . 32.0 p -117.44 168.07 10.71 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-O 121.145 0.498 . . . . 0.0 111.012 179.163 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 13.5 p -98.4 176.37 5.71 Favored 'General case' 0 C--O 1.236 0.379 0 CA-C-N 115.839 -0.619 . . . . 10.0 110.622 179.303 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 23' ' ' LEU . . . . . 0.424 HD13 ' HB3' ' C' ' 40' ' ' ARG . 39.5 tp -60.13 -39.54 86.64 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 121.026 0.441 . . . . 10.0 109.818 179.455 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 24' ' ' GLU . . . . . 0.42 ' O ' ' HB2' ' B' ' 28' ' ' GLU . 41.8 tt0 -60.88 -45.79 93.17 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.576 -0.738 . . . . 10.0 111.092 179.824 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 25' ' ' THR . . . . . 0.458 ' HB ' ' HB2' ' B' ' 21' ' ' CYS . 0.2 OUTLIER -63.82 -39.38 94.1 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.774 0.321 . . . . 10.0 110.404 179.499 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 26' ' ' LEU . . . . . 0.665 HD21 ' SG ' ' B' ' 21' ' ' CYS . 46.1 mt -64.62 -47.98 76.57 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.153 -0.476 . . . . 10.0 110.348 179.691 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 27' ' ' GLU . . . . . 0.546 ' OE2' ' HD3' ' C' ' 41' ' ' ARG . 11.2 mt-10 -63.78 -38.69 92.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.912 0.386 . . . . 10.0 110.164 179.085 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 28' ' ' GLU . . . . . 0.469 ' O ' ' HG3' ' B' ' 32' ' ' LYS . 0.0 OUTLIER -59.52 -48.37 81.93 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.742 -0.663 . . . . 10.0 111.295 -179.927 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 29' ' ' MET . . . . . 0.497 ' HG3' ' O ' ' B' ' 26' ' ' LEU . 3.4 ppp? -75.69 -28.16 58.53 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 111.94 0.348 . . . . 10.0 111.94 -178.925 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 55.0 tp -60.34 -45.6 92.87 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.731 0.301 . . . . 10.0 110.627 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 31' ' ' GLU . . . . . 0.462 ' HG3' ' O ' ' B' ' 27' ' ' GLU . 19.5 mt-10 -64.26 -35.84 82.15 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.211 -0.449 . . . . 10.0 110.681 -179.669 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 32' ' ' LYS . . . . . 0.479 ' O ' HG23 ' B' ' 36' ' ' VAL . 54.1 mttm -65.96 -45.13 82.86 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.06 -0.518 . . . . 10.0 111.052 -179.691 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 33' ' ' LEU . . . . . 0.497 ' O ' HG23 ' B' ' 37' ' ' VAL . 20.7 tp -71.4 -36.1 71.26 Favored 'General case' 0 C--N 1.322 -0.596 0 C-N-CA 120.565 -0.454 . . . . 10.0 110.11 179.665 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -57.94 -50.55 72.99 Favored 'General case' 0 C--O 1.234 0.241 0 CA-C-N 116.038 -0.528 . . . . 10.0 110.917 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 35' ' ' VAL . . . . . . . . . . . . . 35.2 m -62.8 -35.04 69.14 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.23 0 C-N-CA 121.103 -0.239 . . . . 10.0 111.126 -179.892 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 36' ' ' VAL . . . . . 0.479 HG23 ' O ' ' B' ' 32' ' ' LYS . 71.2 t -67.1 -42.82 88.78 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-O 120.854 0.359 . . . . 10.0 110.177 179.443 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 37' ' ' VAL . . . . . 0.497 HG23 ' O ' ' B' ' 33' ' ' LEU . 88.5 t -64.31 -40.56 89.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 N-CA-C 109.671 -0.492 . . . . 10.0 109.671 178.918 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 64.1 t30 -63.73 -43.6 96.04 Favored 'General case' 0 C--N 1.33 -0.269 0 N-CA-C 109.452 -0.573 . . . . 10.0 109.452 178.726 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 39' ' ' GLU . . . . . 0.447 ' CD ' HH21 ' C' ' 15' ' ' ARG . 41.8 mt-10 -60.61 -39.39 88.0 Favored 'General case' 0 C--O 1.233 0.229 0 CA-C-N 115.772 -0.649 . . . . 10.0 110.547 178.88 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 10.0 mmm-85 -70.06 -41.47 74.14 Favored 'General case' 0 C--N 1.33 -0.255 0 N-CA-C 109.843 -0.428 . . . . 10.0 109.843 178.6 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 41' ' ' ARG . . . . . . . . . . . . . 93.7 mtt180 -58.6 -42.81 88.98 Favored 'General case' 0 C--N 1.331 -0.213 0 N-CA-C 109.248 -0.649 . . . . 10.0 109.248 178.533 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 8.0 tp10 -55.76 -48.38 75.37 Favored 'General case' 0 CA--C 1.527 0.073 0 CA-C-N 115.611 -0.722 . . . . 10.0 110.155 178.913 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -63.7 -35.15 79.62 Favored 'General case' 0 C--O 1.234 0.288 0 CA-C-N 116.221 -0.445 . . . . 10.0 110.794 179.743 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 44' ' ' GLU . . . . . 0.414 ' HG2' HD22 ' C' ' 23' ' ' LEU . 1.2 tp10 -68.52 -46.56 69.24 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.668 -0.697 . . . . 10.0 111.083 179.913 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 45' ' ' SER . . . . . . . . . . . . . 2.8 p -74.58 -19.93 60.13 Favored 'General case' 0 C--N 1.331 -0.203 0 N-CA-C 111.857 0.317 . . . . 10.0 111.857 -179.389 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.489 0 CA-C-O 121.039 0.447 . . . . 10.0 111.266 179.789 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' C' C ' 3' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.468 0.429 0 N-CA-C 112.255 0.465 . . . . 10.0 112.255 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 4' ' ' ALA . . . . . . . . . . . . . . . -77.64 -12.16 59.94 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 120.925 0.393 . . . . 10.0 111.697 -179.001 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 5' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -81.9 -34.56 29.91 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 120.804 0.335 . . . . 10.0 111.362 -179.277 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 6' ' ' LYS . . . . . . . . . . . . . 5.8 tptm -62.3 -38.75 90.58 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.197 -0.456 . . . . 10.0 111.985 -179.024 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 7' ' ' ILE . . . . . . . . . . . . . 41.5 pt -80.13 -22.17 11.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-N 116.414 -0.357 . . . . 10.0 111.414 -178.94 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 8' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -78.88 -21.2 47.82 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.074 0.464 . . . . 10.0 110.497 -179.633 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 9' ' ' ASN . . . . . . . . . . . . . 14.1 t-20 -89.53 5.15 46.78 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.636 0.731 . . . . 10.0 109.812 179.214 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 10' ' ' ASN . . . . . . . . . . . . . 2.1 m-20 -116.01 106.71 14.08 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.841 -0.618 . . . . 10.0 110.564 -179.763 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 11' ' ' ILE . . . . . . . . . . . . . 2.5 tp -56.17 -29.3 27.14 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.37 0 CA-C-N 116.28 -0.418 . . . . 10.0 111.138 179.865 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 12' ' ' ARG . . . . . . . . . . . . . 29.8 mmt180 -63.12 -55.77 22.5 Favored 'General case' 0 C--N 1.333 -0.123 0 CA-C-O 121.038 0.447 . . . . 10.0 110.722 179.891 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 13' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -68.51 -34.43 75.88 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.832 -0.622 . . . . 10.0 110.697 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 14' ' ' LEU . . . . . . . . . . . . . 12.9 tp -62.76 -45.9 90.55 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.748 -0.66 . . . . 10.0 110.808 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 15' ' ' ARG . . . . . 0.447 HH21 ' CD ' ' B' ' 39' ' ' GLU . 72.3 mtt180 -66.4 -14.48 62.21 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.444 -0.343 . . . . 10.0 111.379 179.841 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 16' ' ' ALA . . . . . . . . . . . . . . . -90.26 -54.74 3.88 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.648 0.261 . . . . 10.0 111.359 -179.888 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 17' ' ' GLN . . . . . . . . . . . . . 39.6 tt0 -71.36 -16.86 62.44 Favored 'General case' 0 CA--C 1.532 0.273 0 N-CA-C 111.814 0.301 . . . . 10.0 111.814 -178.582 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 18' ' ' ALA . . . . . . . . . . . . . . . -68.11 -12.63 61.22 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.209 0.528 . . . . 10.0 110.939 179.542 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 19' ' ' ARG . . . . . . . . . . . . . 29.6 mtt180 -95.8 2.99 54.12 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.157 -0.474 . . . . 10.0 110.305 179.834 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 20' ' ' GLU . . . . . . . . . . . . . 23.1 tt0 -86.21 -5.69 59.14 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.794 -0.639 . . . . 10.0 110.14 179.855 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 21' ' ' CYS . . . . . . . . . . . . . 73.0 m -142.26 169.51 17.45 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 121.324 0.583 . . . . 0.0 111.014 179.653 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 22' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -85.77 172.15 11.03 Favored 'General case' 0 N--CA 1.451 -0.385 0 CA-C-N 115.9 -0.591 . . . . 10.0 111.01 179.723 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 23' ' ' LEU . . . . . 0.414 HD22 ' HG2' ' B' ' 44' ' ' GLU . 27.2 tp -61.52 -39.9 92.66 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.16 -0.473 . . . . 10.0 111.772 -179.422 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 24' ' ' GLU . . . . . . . . . . . . . 18.7 tt0 -54.76 -51.33 66.02 Favored 'General case' 0 N--CA 1.463 0.195 0 CA-C-O 120.679 0.276 . . . . 10.0 111.531 -179.197 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 25' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -60.95 -45.14 95.89 Favored 'General case' 0 N--CA 1.452 -0.355 0 CA-C-N 116.416 -0.356 . . . . 10.0 110.946 -179.734 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 26' ' ' LEU . . . . . . . . . . . . . 95.2 mt -62.81 -39.37 94.06 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.163 -0.471 . . . . 10.0 111.172 -179.738 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 27' ' ' GLU . . . . . . . . . . . . . 18.1 tt0 -71.67 -50.39 30.94 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.938 -0.574 . . . . 10.0 111.571 -179.263 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 28' ' ' GLU . . . . . . . . . . . . . 27.6 tt0 -57.16 -41.92 80.09 Favored 'General case' 0 N--CA 1.464 0.239 0 CA-C-O 120.708 0.29 . . . . 10.0 111.172 -179.225 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 29' ' ' MET . . . . . 0.43 ' SD ' ' HG ' ' B' ' 5' ' ' LEU . 19.6 ptp -76.29 -26.87 56.32 Favored 'General case' 0 C--N 1.329 -0.302 0 C-N-CA 120.681 -0.407 . . . . 10.0 111.269 -179.565 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 30' ' ' LEU . . . . . 0.447 HD22 HG21 ' B' ' 37' ' ' VAL . 12.8 tp -65.3 -42.67 92.84 Favored 'General case' 0 C--N 1.331 -0.208 0 N-CA-C 110.015 -0.365 . . . . 10.0 110.015 179.132 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 31' ' ' GLU . . . . . . . . . . . . . 27.2 mt-10 -60.99 -36.63 79.96 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.665 -0.698 . . . . 10.0 110.048 179.467 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 32' ' ' LYS . . . . . 0.506 ' O ' HG23 ' C' ' 36' ' ' VAL . 34.3 mttt -71.99 -22.57 61.41 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.845 -0.616 . . . . 10.0 110.761 179.84 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 33' ' ' LEU . . . . . 0.469 ' O ' HG23 ' C' ' 37' ' ' VAL . 30.5 tp -83.54 -45.42 13.58 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.45 -0.341 . . . . 10.0 110.507 179.45 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 34' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -61.18 -33.22 73.11 Favored 'General case' 0 C--N 1.333 -0.125 0 CA-C-N 116.243 -0.435 . . . . 10.0 111.39 -178.981 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 35' ' ' VAL . . . . . 0.54 HG11 ' HB2' ' A' ' 68' ' ' TRP . 29.8 m -73.16 -32.61 39.19 Favored 'Isoleucine or valine' 0 C--O 1.228 -0.052 0 C-N-CA 120.501 -0.48 . . . . 10.0 110.786 179.507 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 36' ' ' VAL . . . . . 0.506 HG23 ' O ' ' C' ' 32' ' ' LYS . 71.2 t -69.11 -42.79 81.95 Favored 'Isoleucine or valine' 0 C--O 1.234 0.266 0 N-CA-C 109.144 -0.687 . . . . 10.0 109.144 179.11 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 37' ' ' VAL . . . . . 0.469 HG23 ' O ' ' C' ' 33' ' ' LEU . 38.3 t -66.3 -36.86 78.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 115.542 -0.754 . . . . 10.0 109.046 178.393 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 38' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -66.52 -43.28 85.66 Favored 'General case' 0 CA--C 1.521 -0.144 0 CA-C-N 115.645 -0.707 . . . . 10.0 110.277 179.261 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 39' ' ' GLU . . . . . . . . . . . . . 35.8 mt-10 -55.6 -46.55 77.3 Favored 'General case' 0 CA--C 1.518 -0.255 0 N-CA-C 108.981 -0.748 . . . . 10.0 108.981 178.377 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 40' ' ' ARG . . . . . 0.424 ' HB3' HD13 ' B' ' 23' ' ' LEU . 0.0 OUTLIER -60.94 -44.75 96.8 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 114.881 -1.054 . . . . 10.0 110.169 178.931 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' C' C ' 41' ' ' ARG . . . . . 0.546 ' HD3' ' OE2' ' B' ' 27' ' ' GLU . 7.5 mmm180 -58.71 -52.54 65.27 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.808 -0.633 . . . . 10.0 111.316 179.879 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 42' ' ' GLU . . . . . . . . . . . . . 31.0 mt-10 -59.51 -47.03 87.09 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.652 -0.703 . . . . 10.0 111.182 -179.595 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 43' ' ' GLU . . . . . . . . . . . . . 54.7 mm-40 -63.02 -43.9 97.45 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.181 -0.463 . . . . 10.0 111.145 -179.529 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 44' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 . . . . . 0 C--N 1.327 -0.405 0 CA-C-N 116.144 -0.48 . . . . 10.0 110.771 179.788 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 2.1 mp . . . . . 0 N--CA 1.48 1.037 0 N-CA-C 110.04 -0.355 . . . . 10.0 110.04 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -80.71 153.93 27.57 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.129 -0.487 . . . . 10.0 111.65 -179.367 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 80.5 tttt -58.87 -39.76 82.34 Favored 'General case' 0 C--O 1.236 0.355 0 CA-C-N 115.939 -0.573 . . . . 10.0 110.852 179.909 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -66.52 -30.77 71.17 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.712 -0.676 . . . . 10.0 111.726 -179.944 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 48.2 m-20 -65.73 -45.66 81.82 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.193 -0.458 . . . . 10.0 110.354 -179.821 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 62.1 m-85 -66.51 -40.08 89.02 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 109.518 -0.549 . . . . 10.0 109.518 178.756 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 58.6 tp -56.95 -46.16 82.29 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 114.993 -1.003 . . . . 10.0 111.276 179.901 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 87.6 mmm -63.82 -38.18 90.12 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.907 0.384 . . . . 10.0 110.922 -179.888 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.46 -26.39 66.36 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.152 -0.476 . . . . 10.0 110.662 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 91.0 mt -94.67 -8.99 36.28 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.11 -0.495 . . . . 10.0 111.509 -179.643 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -69.1 -24.29 64.1 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.952 0.406 . . . . 10.0 110.558 -179.708 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 61.7 mtm-85 -76.7 -27.26 55.42 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.03 -0.532 . . . . 10.0 110.233 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 8.5 m -82.88 122.4 28.19 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.788 -0.642 . . . . 10.0 111.058 -179.256 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -125.52 -165.76 1.46 Allowed 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.727 -0.67 . . . . 10.0 109.225 179.35 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 20' ' ' THR . . . . . 0.403 ' O ' ' HB ' ' A' ' 21' ' ' ILE . 5.4 m 73.54 -18.39 0.38 Allowed 'General case' 0 CA--C 1.541 0.61 0 N-CA-C 112.385 0.513 . . . . 10.0 112.385 179.062 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.403 ' HB ' ' O ' ' A' ' 20' ' ' THR . 81.5 mt 74.45 -48.85 0.19 Allowed 'Isoleucine or valine' 0 N--CA 1.47 0.575 0 C-N-CA 123.32 0.648 . . . . 10.0 111.187 -179.533 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 20.1 t70 -52.45 -49.67 64.16 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.705 -0.68 . . . . 10.0 111.382 179.772 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -74.19 -26.43 60.28 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.449 -0.342 . . . . 10.0 111.416 179.77 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 49.6 tp -67.51 -38.55 84.44 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.208 -0.451 . . . . 10.0 110.748 -179.71 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 7.0 mt-10 -74.61 -7.4 53.05 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.465 -0.334 . . . . 10.0 111.28 179.847 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 5.0 mtt85 -91.18 -39.9 11.86 Favored 'General case' 0 C--N 1.328 -0.351 0 C-N-CA 121.044 -0.262 . . . . 10.0 111.194 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 9.3 p -67.53 -38.25 80.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 120.957 0.408 . . . . 10.0 110.302 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 46.8 pt -70.47 -27.43 31.38 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-O 121.136 0.493 . . . . 10.0 109.962 179.025 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 34.2 tp10 -69.68 -43.14 73.11 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.637 -0.71 . . . . 10.0 109.354 178.805 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 6.8 tttp -67.52 -48.56 66.67 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.654 -0.703 . . . . 10.0 110.557 179.518 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' ASN . . . . . 0.559 ' O ' ' HG ' ' A' ' 35' ' ' LEU . 7.7 m-20 -60.37 -28.81 68.49 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.435 -0.802 . . . . 10.0 111.385 -179.396 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 28.3 ttmt -53.5 -40.96 65.82 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.842 0.353 . . . . 10.0 111.601 179.825 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 34.9 m-85 -90.9 -23.53 20.47 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.81 0.338 . . . . 10.0 111.319 -179.157 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 21.9 mt-10 -78.03 -35.96 49.17 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.494 -0.321 . . . . 10.0 111.532 -179.253 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.559 ' HG ' ' O ' ' A' ' 31' ' ' ASN . 92.1 mt -66.53 165.01 15.36 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.928 0.394 . . . . 10.0 111.289 -179.136 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 36' ' ' SER . . . . . 0.443 ' O ' ' HB2' ' A' ' 37' ' ' ASP . 67.0 m -93.42 8.92 38.64 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.093 -0.503 . . . . 10.0 110.977 -179.84 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 37' ' ' ASP . . . . . 0.443 ' HB2' ' O ' ' A' ' 36' ' ' SER . 98.4 m-20 75.32 -14.29 0.78 Allowed 'General case' 0 C--O 1.261 1.663 0 C-N-CA 124.554 1.142 . . . . 0.0 111.064 177.136 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 2.2 p-10 -86.19 -30.16 22.64 Favored 'General case' 0 C--N 1.328 -0.347 0 O-C-N 119.77 -1.831 . . . . 10.0 110.959 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -93.98 -2.78 52.59 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.271 0.558 . . . . 10.0 110.122 -179.842 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 32.7 tp -60.35 -25.71 66.04 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.438 -0.801 . . . . 10.0 110.932 179.799 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -61.72 -54.51 41.59 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.973 -0.558 . . . . 10.0 111.397 -179.67 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 5.4 m -73.5 -28.8 25.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-O 120.827 0.346 . . . . 10.0 110.995 -179.493 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 81.5 t80 -66.89 -40.65 87.82 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.111 -0.495 . . . . 10.0 110.132 179.378 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -65.13 -40.02 93.87 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.032 -0.531 . . . . 10.0 110.33 179.224 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -61.18 -33.9 74.18 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.161 -0.472 . . . . 10.0 110.14 179.306 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -73.27 -46.22 51.22 Favored 'General case' 0 N--CA 1.454 -0.237 0 CA-C-N 116.043 -0.526 . . . . 10.0 110.38 179.516 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -61.83 -46.55 89.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.907 -0.588 . . . . 10.0 110.109 179.295 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -54.69 -51.47 65.41 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.537 -0.756 . . . . 10.0 110.077 178.972 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 49' ' ' HIS . . . . . 0.427 ' O ' ' HG2' ' A' ' 53' ' ' GLU . 2.9 t60 -62.03 -44.63 96.3 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.104 -0.953 . . . . 10.0 111.345 -179.027 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 25.2 tpt180 -67.26 -40.88 86.28 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.353 -0.385 . . . . 10.0 111.606 -179.15 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 53.8 tp -67.3 -38.55 85.16 Favored 'General case' 0 C--N 1.323 -0.559 0 C-N-CA 121.069 -0.252 . . . . 10.0 110.606 -179.789 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -60.27 -49.12 78.88 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.343 -0.39 . . . . 10.0 111.935 -179.657 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 53' ' ' GLU . . . . . 0.427 ' HG2' ' O ' ' A' ' 49' ' ' HIS . 10.4 pt-20 -68.99 -32.48 72.08 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 120.767 0.318 . . . . 10.0 110.854 -179.85 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.402 HD12 ' HA ' ' A' ' 54' ' ' LEU . 13.8 tp -71.86 -34.12 68.97 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.414 -0.357 . . . . 10.0 110.229 179.511 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 86.5 m -68.67 -36.11 78.11 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 121.233 0.54 . . . . 10.0 109.973 178.952 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 76.5 mmm -83.7 -5.84 59.29 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.718 -0.674 . . . . 10.0 110.29 179.023 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 6.3 t30 55.4 46.75 22.67 Favored 'General case' 0 C--O 1.234 0.258 0 CA-C-N 115.487 -0.779 . . . . 10.0 110.701 -179.566 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 4.5 tppp? -166.23 126.82 1.72 Allowed 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.462 -0.79 . . . . 10.0 109.171 179.696 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 7.1 mp -68.24 127.29 32.4 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.231 0.538 . . . . 10.0 110.624 -179.881 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 25.7 m-85 -126.05 128.25 47.12 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.623 -0.717 . . . . 10.0 110.794 -179.403 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 14.4 t70 -66.78 -47.03 73.42 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 107.608 -1.256 . . . . 10.0 107.608 177.655 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 43.0 tptt -116.3 123.41 47.6 Favored 'General case' 0 N--CA 1.449 -0.481 0 CA-C-N 114.532 -1.213 . . . . 10.0 108.354 178.17 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.414 HG12 ' CE1' ' A' ' 49' ' ' HIS . 45.4 mm -82.93 123.09 78.16 Favored Pre-proline 0 C--N 1.322 -0.627 0 CA-C-N 116.542 -0.299 . . . . 10.0 111.416 -179.096 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 31.6 Cg_exo -59.12 140.98 97.49 Favored 'Trans proline' 0 C--N 1.349 0.601 0 C-N-CA 122.216 1.944 . . . . 10.0 110.978 178.158 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -55.21 -35.72 65.2 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 112.996 0.739 . . . . 10.0 112.996 -178.061 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 97.6 p -73.41 -7.63 52.51 Favored 'General case' 0 C--O 1.26 1.631 0 O-C-N 121.746 -0.596 . . . . 0.0 111.023 -176.588 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 89.4 t -83.33 -28.14 7.75 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.934 0 CA-C-N 120.11 1.323 . . . . 10.0 111.435 -179.059 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 68' ' ' TRP . . . . . 0.41 ' HB3' ' CD1' ' B' ' 11' ' ' ILE . 60.5 m95 -61.5 -19.74 62.41 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 112.179 0.437 . . . . 10.0 112.179 -178.895 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 20.5 tptp -68.07 -22.15 64.94 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.729 0.3 . . . . 10.0 111.157 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 80.9 m-85 -99.88 10.03 42.0 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.444 -0.343 . . . . 10.0 111.716 -178.889 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -77.46 138.34 20.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-O 121.024 0.44 . . . . 10.0 110.013 179.508 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.247 0.936 0 CA-C-O 118.04 -0.981 . . . . 10.0 108.866 179.351 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.532 0.279 0 CA-C-O 120.565 0.221 . . . . 10.0 111.022 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . -73.71 -49.41 25.83 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.845 0.355 . . . . 10.0 111.129 -179.601 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 8.6 mp -66.58 -11.28 52.46 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.918 -0.583 . . . . 10.0 111.248 -179.59 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 84.0 tttt -81.11 -47.94 12.83 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.94 -0.573 . . . . 10.0 110.912 -179.742 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 7' ' ' ILE . . . . . . . . . . . . . 31.0 pt -79.72 -24.81 12.13 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 CA-C-N 116.166 -0.47 . . . . 10.0 111.089 -179.805 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 8' ' ' LEU . . . . . 0.454 HD23 ' SD ' ' C' ' 29' ' ' MET . 35.2 tp -77.13 -12.7 59.98 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.977 -0.556 . . . . 10.0 110.97 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 9' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 -79.92 -18.38 50.68 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.371 -0.377 . . . . 10.0 111.384 -179.48 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 10' ' ' ASN . . . . . 0.402 ' OD1' ' HB2' ' B' ' 12' ' ' ARG . 23.7 t-20 -118.09 136.24 53.7 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.272 0.558 . . . . 10.0 110.539 -179.869 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 11' ' ' ILE . . . . . 0.41 ' CD1' ' HB3' ' A' ' 68' ' ' TRP . 3.3 mt -75.95 -27.22 18.1 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 N-CA-C 113.2 0.815 . . . . 10.0 113.2 -177.882 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 12' ' ' ARG . . . . . 0.402 ' HB2' ' OD1' ' B' ' 10' ' ' ASN . 93.1 mtt180 -62.81 -37.77 88.08 Favored 'General case' 0 N--CA 1.465 0.321 0 CA-C-O 120.792 0.329 . . . . 10.0 110.841 -179.242 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 13' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -79.06 -41.79 27.94 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.167 0.508 . . . . 10.0 110.501 179.121 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 28.1 tp -62.82 -41.31 99.26 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.566 -0.743 . . . . 10.0 111.758 -179.154 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 15' ' ' ARG . . . . . 0.419 ' O ' ' HG2' ' B' ' 19' ' ' ARG . 17.3 mtt180 -58.27 -29.93 66.19 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.725 -0.216 . . . . 10.0 111.413 -179.801 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 16' ' ' ALA . . . . . . . . . . . . . . . -90.86 -38.98 12.59 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.117 0.484 . . . . 10.0 111.084 -179.746 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 17' ' ' GLN . . . . . . . . . . . . . 14.4 tp60 -64.03 -34.4 77.92 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.066 -0.516 . . . . 10.0 111.439 -179.617 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -79.88 4.17 17.52 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 112.273 0.472 . . . . 10.0 112.273 -179.004 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 19' ' ' ARG . . . . . 0.419 ' HG2' ' O ' ' B' ' 15' ' ' ARG . 25.4 mmm180 -85.48 -16.49 39.41 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 122.2 -0.313 . . . . 10.0 111.342 -179.506 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -95.45 7.37 46.43 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.099 0.476 . . . . 10.0 110.703 -179.761 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 21' ' ' CYS . . . . . . . . . . . . . 79.0 m -127.8 138.9 52.89 Favored 'General case' 0 CA--C 1.51 -0.561 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.009 178.427 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -68.62 161.95 26.96 Favored 'General case' 0 C--N 1.313 -1.015 0 O-C-N 124.184 0.927 . . . . 10.0 111.37 179.007 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 23' ' ' LEU . . . . . 0.446 HD21 ' HD2' ' C' ' 41' ' ' ARG . 17.9 tp -57.92 -39.95 79.2 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.342 -0.39 . . . . 10.0 110.427 179.67 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 24' ' ' GLU . . . . . 0.401 ' O ' ' HB2' ' B' ' 28' ' ' GLU . 7.7 tt0 -53.68 -53.43 52.18 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.788 -0.642 . . . . 10.0 111.103 179.746 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -64.62 -38.07 89.75 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.127 -0.488 . . . . 10.0 111.635 -179.354 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 26' ' ' LEU . . . . . 0.42 ' O ' ' HG2' ' B' ' 29' ' ' MET . 83.2 mt -66.09 -50.58 63.6 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.843 -0.617 . . . . 10.0 111.433 -179.271 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 27' ' ' GLU . . . . . 0.473 ' OE1' ' HD3' ' C' ' 41' ' ' ARG . 27.3 tt0 -65.02 -38.27 90.34 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.027 0.441 . . . . 10.0 110.18 -179.864 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 28' ' ' GLU . . . . . 0.401 ' HB2' ' O ' ' B' ' 24' ' ' GLU . 5.9 tm-20 -61.36 -45.87 92.6 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.799 -0.637 . . . . 10.0 110.646 179.897 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 29' ' ' MET . . . . . 0.42 ' HG2' ' O ' ' B' ' 26' ' ' LEU . 16.9 ptp -72.02 -30.21 64.98 Favored 'General case' 0 N--CA 1.463 0.192 0 CA-C-O 121.033 0.444 . . . . 10.0 110.058 179.63 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 15.6 tp -63.25 -46.28 87.64 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.016 -0.538 . . . . 10.0 110.061 178.75 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -60.31 -33.47 72.42 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.83 -0.623 . . . . 10.0 110.637 179.709 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -68.27 -39.45 82.16 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.175 -0.466 . . . . 10.0 110.495 179.552 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 22.6 tp -71.93 -34.88 69.43 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 109.657 -0.498 . . . . 10.0 109.657 179.024 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 17.5 tp10 -57.64 -51.71 68.41 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.809 -0.632 . . . . 10.0 110.79 179.229 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 35' ' ' VAL . . . . . . . . . . . . . 26.4 m -65.95 -31.27 52.96 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.305 0 CA-C-N 116.696 -0.229 . . . . 10.0 111.577 -179.466 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 42.5 t -69.92 -47.3 70.1 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-O 120.955 0.407 . . . . 10.0 110.21 179.566 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 87.0 t -66.68 -36.29 76.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-O 121.063 0.459 . . . . 10.0 109.96 179.089 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 27.3 t-20 -60.98 -39.45 89.67 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.13 -0.486 . . . . 10.0 109.989 178.721 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 39' ' ' GLU . . . . . 0.427 ' O ' ' HG3' ' B' ' 43' ' ' GLU . 23.7 mt-10 -63.52 -49.73 72.34 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.958 -0.564 . . . . 10.0 109.777 178.654 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 20.5 mmm-85 -58.04 -36.08 72.23 Favored 'General case' 0 C--O 1.232 0.148 0 CA-C-N 115.974 -0.557 . . . . 10.0 110.41 179.575 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 41' ' ' ARG . . . . . . . . . . . . . 69.4 mtt180 -58.71 -46.46 87.28 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.787 -0.642 . . . . 10.0 109.913 178.756 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -70.34 -39.74 74.53 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.4 -0.818 . . . . 10.0 110.906 -179.631 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 43' ' ' GLU . . . . . 0.427 ' HG3' ' O ' ' B' ' 39' ' ' GLU . 78.8 mt-10 -58.16 -39.53 79.08 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.926 0.393 . . . . 10.0 111.576 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -77.7 -45.91 23.43 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 116.15 -0.477 . . . . 10.0 112.279 -178.995 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 45' ' ' SER . . . . . . . . . . . . . 13.4 p -69.69 -36.67 76.17 Favored 'General case' 0 C--N 1.327 -0.413 0 N-CA-C 112.267 0.469 . . . . 10.0 112.267 -178.494 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.322 0 N-CA-C 111.854 0.316 . . . . 10.0 111.854 -179.273 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' C' C ' 3' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.521 -0.162 0 N-CA-C 109.58 -0.526 . . . . 10.0 109.58 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 4' ' ' ALA . . . . . . . . . . . . . . . -66.68 -34.8 78.65 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.576 -0.738 . . . . 10.0 110.8 179.699 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 5' ' ' LEU . . . . . . . . . . . . . 64.3 mt -79.63 -10.64 59.82 Favored 'General case' 0 CA--C 1.532 0.285 0 CA-C-N 116.326 -0.397 . . . . 10.0 110.992 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 6' ' ' LYS . . . . . . . . . . . . . 21.2 tptm -72.1 -55.42 7.36 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.414 -0.357 . . . . 10.0 110.567 -179.744 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 7' ' ' ILE . . . . . 0.457 HD13 ' H ' ' C' ' 7' ' ' ILE . 0.2 OUTLIER -75.44 -12.23 14.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.992 0.425 . . . . 10.0 110.769 -179.668 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' C' C ' 8' ' ' LEU . . . . . 0.549 HD12 HD13 ' C' ' 14' ' ' LEU . 12.4 tp -72.0 -21.93 61.49 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.707 -0.679 . . . . 10.0 110.469 179.794 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 9' ' ' ASN . . . . . . . . . . . . . 7.9 t-20 -91.9 -5.75 52.67 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.148 -0.478 . . . . 10.0 110.371 179.669 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 10' ' ' ASN . . . . . . . . . . . . . 74.7 m-20 -92.16 108.53 20.01 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.096 -0.502 . . . . 10.0 110.344 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 11' ' ' ILE . . . . . 0.418 ' O ' ' HB2' ' C' ' 15' ' ' ARG . 1.8 tp -58.03 -35.47 52.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-N 116.388 -0.369 . . . . 10.0 111.385 -179.485 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 12' ' ' ARG . . . . . . . . . . . . . 14.9 mmt85 -71.15 -50.12 36.71 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.622 0.249 . . . . 10.0 111.273 -179.749 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 13' ' ' THR . . . . . . . . . . . . . 1.8 m -65.53 -41.72 92.79 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.121 0.486 . . . . 10.0 111.221 -179.73 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 14' ' ' LEU . . . . . 0.549 HD13 HD12 ' C' ' 8' ' ' LEU . 50.6 tp -61.76 -48.51 80.35 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.713 -0.676 . . . . 10.0 110.695 179.939 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 15' ' ' ARG . . . . . 0.418 ' HB2' ' O ' ' C' ' 11' ' ' ILE . 24.3 ttt-85 -60.93 -30.47 70.23 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.141 -0.482 . . . . 10.0 110.985 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 16' ' ' ALA . . . . . . . . . . . . . . . -77.31 -45.94 24.59 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.312 -0.404 . . . . 10.0 111.86 -179.748 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 17' ' ' GLN . . . . . . . . . . . . . 2.0 tt0 -75.31 -21.93 58.07 Favored 'General case' 0 C--N 1.331 -0.231 0 C-N-CA 121.068 -0.253 . . . . 10.0 111.48 -179.269 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 18' ' ' ALA . . . . . 0.455 ' O ' HD11 ' C' ' 26' ' ' LEU . . . -67.73 -18.41 64.89 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.073 0.463 . . . . 10.0 110.662 179.306 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 19' ' ' ARG . . . . . . . . . . . . . 98.0 mtt180 -84.07 5.91 24.2 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.304 -0.407 . . . . 10.0 111.172 -179.811 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 20' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -87.07 -14.4 41.57 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.21 -0.45 . . . . 10.0 111.194 179.458 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 21' ' ' CYS . . . . . . . . . . . . . 73.1 m -133.1 168.96 17.56 Favored 'General case' 0 CA--C 1.512 -0.519 0 CA-C-O 121.474 0.654 . . . . 0.0 110.974 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 22' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -76.69 166.27 23.6 Favored 'General case' 0 N--CA 1.45 -0.442 0 CA-C-N 115.072 -0.967 . . . . 10.0 111.47 179.904 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 60.7 tp -62.48 -33.21 74.4 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.206 -0.452 . . . . 10.0 110.965 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 24' ' ' GLU . . . . . . . . . . . . . 4.5 tt0 -56.1 -54.65 42.5 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.316 -0.402 . . . . 10.0 110.831 179.901 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 25' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -67.11 -40.75 86.92 Favored 'General case' 0 N--CA 1.449 -0.507 0 CA-C-N 116.073 -0.512 . . . . 10.0 111.328 -179.828 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 26' ' ' LEU . . . . . 0.455 HD11 ' O ' ' C' ' 18' ' ' ALA . 89.8 mt -60.53 -46.04 91.61 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.176 0.512 . . . . 10.0 110.951 179.406 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 27' ' ' GLU . . . . . 0.504 ' O ' ' HG3' ' C' ' 31' ' ' GLU . 41.1 tt0 -67.7 -48.99 65.0 Favored 'General case' 0 N--CA 1.447 -0.602 0 CA-C-N 115.859 -0.61 . . . . 10.0 110.785 -179.734 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 28' ' ' GLU . . . . . 0.489 ' O ' ' HG3' ' C' ' 32' ' ' LYS . 3.8 tt0 -57.5 -39.54 76.69 Favored 'General case' 0 N--CA 1.461 0.121 0 O-C-N 123.069 0.23 . . . . 10.0 110.93 -179.479 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 29' ' ' MET . . . . . 0.454 ' SD ' HD23 ' B' ' 8' ' ' LEU . 13.2 ptp -73.89 -31.56 63.17 Favored 'General case' 0 C--N 1.331 -0.203 0 C-N-CA 120.449 -0.5 . . . . 10.0 110.719 179.926 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 30' ' ' LEU . . . . . . . . . . . . . 12.6 tp -66.81 -40.4 88.04 Favored 'General case' 0 C--O 1.232 0.148 0 N-CA-C 109.342 -0.614 . . . . 10.0 109.342 178.625 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 31' ' ' GLU . . . . . 0.504 ' HG3' ' O ' ' C' ' 27' ' ' GLU . 52.2 mt-10 -62.81 -31.62 72.65 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.256 -0.884 . . . . 10.0 110.435 179.623 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 32' ' ' LYS . . . . . 0.489 ' HG3' ' O ' ' C' ' 28' ' ' GLU . 85.1 mttt -81.03 -16.89 52.04 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.067 -0.515 . . . . 10.0 110.405 179.817 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 33' ' ' LEU . . . . . 0.594 ' O ' HG12 ' C' ' 36' ' ' VAL . 50.1 tp -86.27 -40.2 15.77 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.149 -0.478 . . . . 10.0 110.508 179.609 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 34' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -66.9 -30.59 70.78 Favored 'General case' 0 C--N 1.326 -0.454 0 C-N-CA 120.934 -0.306 . . . . 10.0 111.327 -179.551 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 35' ' ' VAL . . . . . . . . . . . . . 27.1 m -73.87 -33.97 38.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 C-N-CA 120.973 -0.291 . . . . 10.0 111.335 -179.824 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 36' ' ' VAL . . . . . 0.594 HG12 ' O ' ' C' ' 33' ' ' LEU . 3.8 p -71.97 -31.07 39.17 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.17 0 N-CA-C 109.381 -0.6 . . . . 10.0 109.381 179.135 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 37' ' ' VAL . . . . . . . . . . . . . 77.9 t -72.57 -36.37 53.6 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.341 0 N-CA-C 108.893 -0.781 . . . . 10.0 108.893 178.148 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 38' ' ' ASN . . . . . . . . . . . . . 2.0 t30 -59.05 -42.17 89.63 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.513 -0.767 . . . . 10.0 109.451 178.411 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 39' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -61.6 -34.89 76.41 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 115.512 -0.767 . . . . 10.0 110.115 179.408 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 40' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -73.64 -30.45 62.95 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.873 -0.603 . . . . 10.0 109.903 178.706 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 41' ' ' ARG . . . . . 0.473 ' HD3' ' OE1' ' B' ' 27' ' ' GLU . 10.3 mmm180 -66.35 -47.37 73.64 Favored 'General case' 0 C--N 1.333 -0.15 0 N-CA-C 109.157 -0.682 . . . . 10.0 109.157 178.281 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 42' ' ' GLU . . . . . . . . . . . . . 16.2 mt-10 -65.86 -12.59 55.6 Favored 'General case' 0 N--CA 1.464 0.232 0 CA-C-N 115.791 -0.64 . . . . 10.0 110.726 179.469 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 43' ' ' GLU . . . . . . . . . . . . . 23.3 tt0 -88.33 -56.23 3.4 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.613 -0.721 . . . . 10.0 111.35 -179.247 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 44' ' ' GLU . . . . . . . . . . . . . 5.3 mt-10 . . . . . 0 C--N 1.328 -0.342 0 N-CA-C 112.665 0.616 . . . . 10.0 112.665 -178.418 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 52.2 tp . . . . . 0 N--CA 1.479 0.983 0 N-CA-C 110.104 -0.332 . . . . 10.0 110.104 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -92.05 152.3 20.03 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.298 -0.41 . . . . 10.0 111.03 -179.869 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 60.8 pttt -69.23 -20.05 63.95 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.796 0.332 . . . . 10.0 110.625 179.655 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -61.68 -38.3 87.27 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.028 -0.533 . . . . 10.0 111.035 179.639 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -63.16 -38.32 90.72 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.065 -0.516 . . . . 10.0 110.61 -179.773 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 4.3 m-85 -78.42 -37.42 43.87 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.062 -0.517 . . . . 10.0 109.687 178.962 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 42.7 tp -58.29 -51.22 70.69 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.823 -0.626 . . . . 10.0 110.896 179.767 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 1.6 tpt -65.44 -31.89 73.22 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.033 0.444 . . . . 10.0 110.393 -179.86 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.76 -30.48 69.09 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.992 -0.549 . . . . 10.0 110.418 179.201 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 91.3 mt -93.23 -4.03 52.67 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.166 -0.47 . . . . 10.0 111.229 -179.803 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -66.35 -23.89 66.42 Favored 'General case' 0 N--CA 1.464 0.272 0 CA-C-O 121.104 0.478 . . . . 10.0 110.662 -179.886 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 90.2 mtm-85 -78.17 -20.06 52.73 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.311 0.577 . . . . 10.0 110.527 179.319 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 35.4 m -79.57 99.39 7.28 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.782 -0.644 . . . . 10.0 110.691 -179.809 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 12.4 mm100 -98.65 -174.32 2.77 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.821 -0.627 . . . . 10.0 109.772 179.054 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' THR . . . . . 0.457 ' O ' ' HB ' ' A' ' 21' ' ' ILE . 7.4 p 62.79 -8.19 0.13 Allowed 'General case' 0 N--CA 1.472 0.675 0 N-CA-C 114.428 1.269 . . . . 10.0 114.428 178.283 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.457 ' HB ' ' O ' ' A' ' 20' ' ' THR . 82.0 mt 73.43 -48.63 0.19 Allowed 'Isoleucine or valine' 0 N--CA 1.469 0.493 0 C-N-CA 122.876 0.471 . . . . 10.0 110.657 -179.147 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 13.0 t70 -54.65 -37.75 66.06 Favored 'General case' 0 C--N 1.327 -0.384 0 C-N-CA 123.06 0.544 . . . . 10.0 111.275 179.762 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 5.3 m -67.3 -39.87 86.0 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.253 0.549 . . . . 10.0 110.596 179.128 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.453 ' HA ' HG12 ' A' ' 27' ' ' VAL . 20.0 tp -65.83 -40.01 91.39 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.337 -0.847 . . . . 10.0 110.874 -179.268 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 6.7 tp10 -56.69 -26.22 56.03 Favored 'General case' 0 CA--C 1.538 0.508 0 CA-C-N 115.961 -0.563 . . . . 10.0 111.802 -179.647 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 72.9 mtt85 -90.7 -39.77 12.25 Favored 'General case' 0 C--N 1.33 -0.271 0 N-CA-C 111.845 0.313 . . . . 10.0 111.845 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.453 HG12 ' HA ' ' A' ' 24' ' ' LEU . 5.8 p -65.77 -35.37 74.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 C-N-CA 121.088 -0.245 . . . . 10.0 111.271 -178.951 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.498 ' O ' ' HB2' ' A' ' 32' ' ' LYS . 48.7 pt -74.48 -21.95 17.53 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-O 120.975 0.417 . . . . 10.0 110.235 179.582 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 9.9 tp10 -78.22 -46.16 21.11 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.824 -0.626 . . . . 10.0 109.634 179.415 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 24.1 mtpp -67.14 -47.91 69.66 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.646 -0.706 . . . . 10.0 111.003 179.902 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' ASN . . . . . 0.477 ' O ' ' HG ' ' A' ' 35' ' ' LEU . 0.1 OUTLIER -66.26 -25.63 66.97 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.196 -0.457 . . . . 10.0 111.622 -179.339 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.498 ' HB2' ' O ' ' A' ' 28' ' ' ILE . 36.0 ttmt -56.7 -34.48 67.47 Favored 'General case' 0 C--N 1.328 -0.358 0 C-N-CA 122.778 0.431 . . . . 10.0 111.632 -179.712 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 88.6 m-85 -96.93 -3.07 42.46 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 120.924 0.392 . . . . 10.0 111.469 -178.872 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 53.5 mt-10 -103.91 9.08 36.9 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.17 0.51 . . . . 10.0 110.195 179.478 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.477 ' HG ' ' O ' ' A' ' 31' ' ' ASN . 88.7 mt -104.7 158.39 16.54 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.751 -0.658 . . . . 10.0 110.521 179.638 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 36' ' ' SER . . . . . 0.503 ' O ' ' HB2' ' A' ' 37' ' ' ASP . 2.4 m -92.9 1.68 57.17 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 116.139 -0.482 . . . . 10.0 110.47 -179.799 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 37' ' ' ASP . . . . . 0.503 ' HB2' ' O ' ' A' ' 36' ' ' SER . 97.1 m-20 79.75 -14.4 0.86 Allowed 'General case' 0 C--O 1.255 1.389 0 C-N-CA 124.919 1.288 . . . . 0.0 111.079 178.929 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 2.2 p-10 -82.77 -32.82 27.59 Favored 'General case' 0 C--N 1.331 -0.234 0 O-C-N 120.827 -1.171 . . . . 10.0 109.869 178.829 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.422 ' CD ' ' H ' ' A' ' 36' ' ' SER . 0.0 OUTLIER -88.0 -16.08 34.66 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 108.948 -0.76 . . . . 10.0 108.948 178.873 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 29.5 tp -61.21 -21.55 63.94 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 114.759 -1.11 . . . . 10.0 110.317 179.176 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -60.58 -40.01 90.15 Favored 'General case' 0 N--CA 1.455 -0.223 0 CA-C-N 115.871 -0.604 . . . . 10.0 111.465 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 35.5 m -93.06 -17.17 7.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.677 -0.238 . . . . 10.0 111.022 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 54.3 t80 -66.38 -32.38 73.73 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.824 0.345 . . . . 10.0 110.509 179.617 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 24.8 m-85 -58.42 -64.68 0.84 Allowed 'General case' 0 C--O 1.224 -0.263 0 CA-C-N 115.947 -0.57 . . . . 10.0 110.501 179.096 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 18.2 t -56.97 -28.6 62.48 Favored 'General case' 0 CA--C 1.535 0.389 0 CA-C-N 116.142 -0.481 . . . . 10.0 111.379 -179.209 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -67.69 -55.02 14.83 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.749 0.309 . . . . 10.0 110.547 179.217 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -68.09 -39.29 82.9 Favored 'General case' 0 C--O 1.235 0.335 0 CA-C-N 116.08 -0.509 . . . . 10.0 110.557 179.882 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -55.8 -44.91 78.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.547 0.689 . . . . 10.0 110.022 178.961 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 49' ' ' HIS . . . . . 0.432 ' O ' ' HG2' ' A' ' 53' ' ' GLU . 6.2 t60 -70.98 -43.65 67.6 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.436 -0.802 . . . . 10.0 110.584 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 17.9 tpt180 -60.75 -41.71 95.96 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.041 -0.527 . . . . 10.0 111.921 -178.947 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 11.9 tp -69.9 -37.87 76.12 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 116.582 -0.281 . . . . 10.0 110.902 -179.667 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 52' ' ' ALA . . . . . 0.538 ' HA ' HD11 ' A' ' 71' ' ' ILE . . . -58.78 -51.08 71.52 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.346 -0.388 . . . . 10.0 112.011 -179.557 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 53' ' ' GLU . . . . . 0.432 ' HG2' ' O ' ' A' ' 49' ' ' HIS . 10.7 pt-20 -67.5 -32.4 73.19 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.366 -0.379 . . . . 10.0 111.541 -179.197 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 12.0 tp -73.85 -33.95 64.32 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 111.774 0.287 . . . . 10.0 111.774 -179.127 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 13.3 m -70.67 -37.05 73.62 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.804 0.335 . . . . 10.0 111.034 -179.699 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 93.6 mmm -88.87 -8.97 53.29 Favored 'General case' 0 C--O 1.235 0.299 0 CA-C-N 116.423 -0.353 . . . . 10.0 110.844 179.831 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 49.6 t30 63.19 27.15 15.52 Favored 'General case' 0 N--CA 1.465 0.322 0 CA-C-N 115.637 -0.711 . . . . 10.0 110.833 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 43.9 tttp -141.2 122.99 15.31 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.734 -0.666 . . . . 10.0 109.847 -179.872 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 7.8 mp -74.32 136.55 42.56 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.137 -0.483 . . . . 10.0 110.929 -179.473 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 52.9 m-85 -129.74 143.16 50.68 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.766 -0.652 . . . . 10.0 110.262 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 23.1 m-20 -74.77 -43.34 55.34 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 109.12 -0.696 . . . . 10.0 109.12 178.632 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 24.3 pttt -104.57 -163.03 0.93 Allowed 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.482 -0.781 . . . . 10.0 109.518 178.854 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.47 ' HA ' ' HD3' ' A' ' 64' ' ' PRO . 12.9 mm -120.9 125.19 27.14 Favored Pre-proline 0 C--N 1.324 -0.522 0 N-CA-C 111.723 0.268 . . . . 10.0 111.723 -179.285 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 64' ' ' PRO . . . . . 0.47 ' HD3' ' HA ' ' A' ' 63' ' ' ILE . 5.2 Cg_exo -80.45 133.18 9.43 Favored 'Trans proline' 0 C--N 1.349 0.58 0 C-N-CA 122.729 2.286 . . . . 10.0 110.64 176.626 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 1.1 m -58.78 -46.68 86.97 Favored 'General case' 0 C--N 1.32 -0.716 0 N-CA-C 113.507 0.929 . . . . 10.0 113.507 -178.397 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 97.7 p -80.82 23.5 0.54 Allowed 'General case' 0 C--O 1.26 1.649 0 O-C-N 121.375 -0.828 . . . . 0.0 110.981 -176.346 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.412 HG12 ' O ' ' A' ' 64' ' ' PRO . 1.8 p -101.83 -19.52 5.98 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.096 0 CA-C-N 120.924 1.693 . . . . 10.0 111.418 -179.809 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 68' ' ' TRP . . . . . 0.463 ' CZ2' ' HE2' ' C' ' 32' ' ' LYS . 81.5 m95 -70.59 -8.79 54.21 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 112.419 0.525 . . . . 10.0 112.419 -178.316 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 14.6 tppt? -82.95 -17.49 43.38 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.196 0.522 . . . . 10.0 110.169 179.445 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 40.1 m-85 -94.13 -3.6 50.74 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 120.851 0.358 . . . . 10.0 110.885 -179.611 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 71' ' ' ILE . . . . . 0.538 HD11 ' HA ' ' A' ' 52' ' ' ALA . 29.4 mt -109.2 139.03 33.68 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 CA-C-N 116.223 -0.444 . . . . 10.0 110.69 -179.17 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 46.3 mtp180 . . . . . 0 C--O 1.25 1.086 0 CA-C-O 118.532 -0.747 . . . . 10.0 110.289 -179.714 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.886 0.374 . . . . 10.0 110.21 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . -67.01 -46.02 75.77 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 115.969 -0.56 . . . . 10.0 110.705 -179.811 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 8.7 mp -76.54 -14.06 60.04 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.136 -0.484 . . . . 10.0 111.316 -179.811 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 60.5 tttt -72.51 -49.6 31.71 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.185 -0.461 . . . . 10.0 110.5 -179.828 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 7' ' ' ILE . . . . . . . . . . . . . 34.6 pt -76.16 -20.4 15.32 Favored 'Isoleucine or valine' 0 C--O 1.232 0.181 0 CA-C-N 116.352 -0.385 . . . . 10.0 111.112 -179.769 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 5.5 tp -77.26 -20.19 55.48 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.973 -0.558 . . . . 10.0 111.084 -179.786 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 9' ' ' ASN . . . . . . . . . . . . . 46.2 t30 -93.25 24.08 4.05 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.754 0.312 . . . . 10.0 111.657 -179.036 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 10' ' ' ASN . . . . . . . . . . . . . 28.4 t-20 -148.63 120.35 8.08 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 109.917 -0.401 . . . . 10.0 109.917 178.354 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 11' ' ' ILE . . . . . 0.4 ' H ' HG12 ' B' ' 11' ' ' ILE . 3.4 pt -63.49 -34.32 66.75 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 N-CA-C 113.088 0.773 . . . . 10.0 113.088 -178.21 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 12' ' ' ARG . . . . . . . . . . . . . 51.2 mtt180 -64.63 -40.07 94.81 Favored 'General case' 0 C--N 1.325 -0.486 0 C-N-CA 121.033 -0.267 . . . . 10.0 111.572 -178.488 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 13' ' ' THR . . . . . . . . . . . . . 1.4 p -80.4 -40.13 27.03 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 121.222 0.534 . . . . 10.0 111.167 179.335 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 14' ' ' LEU . . . . . 0.407 HD21 HD13 ' C' ' 33' ' ' LEU . 18.2 tp -67.37 -35.54 79.55 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.794 -0.639 . . . . 10.0 111.885 -178.579 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 15' ' ' ARG . . . . . 0.431 ' O ' ' HG2' ' B' ' 19' ' ' ARG . 18.1 mtt180 -57.76 -40.99 81.02 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.528 0.204 . . . . 10.0 111.078 -179.892 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 16' ' ' ALA . . . . . . . . . . . . . . . -75.93 -35.3 59.79 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.098 0.475 . . . . 10.0 111.151 -179.72 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 17' ' ' GLN . . . . . . . . . . . . . 26.6 tp60 -67.89 -34.87 77.49 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.007 -0.542 . . . . 10.0 111.376 -179.666 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -78.67 2.57 19.07 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 112.602 0.593 . . . . 10.0 112.602 -178.843 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 19' ' ' ARG . . . . . 0.431 ' HG2' ' O ' ' B' ' 15' ' ' ARG . 21.5 mmm180 -87.91 -9.83 52.47 Favored 'General case' 0 C--N 1.327 -0.397 0 C-N-CA 120.644 -0.422 . . . . 10.0 110.615 179.531 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 4.3 pt-20 -96.63 -0.99 47.72 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.971 0.415 . . . . 10.0 110.848 179.747 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 21' ' ' CYS . . . . . . . . . . . . . 79.4 m -123.46 140.04 53.41 Favored 'General case' 0 CA--C 1.51 -0.57 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.013 178.952 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 22' ' ' THR . . . . . 0.555 ' HB ' ' OE1' ' B' ' 24' ' ' GLU . 0.0 OUTLIER -71.57 163.19 28.2 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 116.322 -0.399 . . . . 10.0 111.082 178.866 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 46.7 tp -58.96 -32.34 69.55 Favored 'General case' 0 C--O 1.224 -0.268 0 CA-C-N 116.532 -0.303 . . . . 10.0 111.239 -179.217 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 24' ' ' GLU . . . . . 0.555 ' OE1' ' HB ' ' B' ' 22' ' ' THR . 29.0 mp0 -56.35 -47.51 78.69 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.854 0.359 . . . . 10.0 111.374 -179.459 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 1.6 m -72.74 -37.75 67.62 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.944 0.402 . . . . 10.0 110.878 179.693 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 97.2 mt -63.86 -44.18 93.88 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.988 -0.551 . . . . 10.0 110.762 -179.747 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 19.2 tt0 -65.13 -43.37 92.13 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.701 -0.681 . . . . 10.0 110.564 179.89 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 18.3 tt0 -62.11 -46.89 87.03 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.714 -0.676 . . . . 10.0 111.032 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 29' ' ' MET . . . . . . . . . . . . . 14.3 ptp -68.44 -28.55 67.15 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.691 -0.231 . . . . 10.0 110.627 -179.747 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 64.9 tp -64.65 -53.24 50.59 Favored 'General case' 0 N--CA 1.452 -0.373 0 CA-C-N 116.457 -0.338 . . . . 10.0 110.204 179.776 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 38.8 mt-10 -61.15 -38.19 85.53 Favored 'General case' 0 C--O 1.234 0.282 0 CA-C-N 116.111 -0.495 . . . . 10.0 110.157 179.576 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 3.8 ttmt -63.14 -46.5 86.95 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.491 -0.777 . . . . 10.0 110.633 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 33.4 tp -68.24 -34.87 77.01 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.136 0.493 . . . . 10.0 109.939 179.219 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 37.6 tt0 -60.34 -48.47 81.61 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.629 -0.714 . . . . 10.0 110.906 179.618 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 35' ' ' VAL . . . . . . . . . . . . . 23.3 m -67.78 -29.13 44.04 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.148 0 C-N-CA 120.746 -0.382 . . . . 10.0 110.704 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 24.0 t -69.16 -48.41 69.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-O 121.124 0.488 . . . . 10.0 109.86 178.96 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 76.0 t -67.71 -38.55 80.51 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-N 116.092 -0.504 . . . . 10.0 110.028 179.152 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 19.5 t30 -62.2 -38.03 87.58 Favored 'General case' 0 C--O 1.234 0.287 0 N-CA-C 109.562 -0.532 . . . . 10.0 109.562 178.534 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 39' ' ' GLU . . . . . 0.523 ' O ' ' HG3' ' B' ' 43' ' ' GLU . 5.5 tt0 -61.84 -45.03 95.58 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 108.946 -0.761 . . . . 10.0 108.946 178.307 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 21.2 mmm-85 -62.34 -41.76 98.84 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.171 -0.922 . . . . 10.0 109.521 178.718 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 41' ' ' ARG . . . . . . . . . . . . . 94.5 mtt180 -55.89 -44.83 78.55 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-N 115.772 -0.649 . . . . 10.0 109.893 179.151 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 2.2 tp10 -62.22 -42.07 98.97 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.882 -0.599 . . . . 10.0 110.602 179.807 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 43' ' ' GLU . . . . . 0.523 ' HG3' ' O ' ' B' ' 39' ' ' GLU . 32.3 mt-10 -67.62 -39.0 84.71 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.83 0.348 . . . . 10.0 110.416 179.594 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -69.44 -37.03 77.19 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.673 -0.694 . . . . 10.0 111.431 -179.47 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 45' ' ' SER . . . . . . . . . . . . . 34.3 p -99.4 21.1 12.57 Favored 'General case' 0 N--CA 1.464 0.241 0 CA-C-O 120.95 0.405 . . . . 10.0 111.678 -179.313 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.321 -0.662 0 CA-C-O 120.925 0.393 . . . . 10.0 110.826 -179.973 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' C' C ' 3' ' ' GLU . . . . . 0.458 ' O ' HG12 ' C' ' 7' ' ' ILE . 2.8 mp0 . . . . . 0 C--O 1.232 0.157 0 CA-C-O 120.97 0.414 . . . . 10.0 110.931 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 4' ' ' ALA . . . . . . . . . . . . . . . -56.21 -44.0 79.06 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.793 -0.64 . . . . 10.0 111.84 -179.771 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 5' ' ' LEU . . . . . . . . . . . . . 93.0 mt -71.05 -29.86 65.87 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.682 0.277 . . . . 10.0 111.668 -179.082 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 6' ' ' LYS . . . . . . . . . . . . . 9.5 tptm -67.09 -36.36 81.8 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.014 0.435 . . . . 10.0 110.935 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 7' ' ' ILE . . . . . 0.458 HG12 ' O ' ' C' ' 3' ' ' GLU . 43.0 mm -68.03 -31.37 51.6 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 115.828 -0.623 . . . . 10.0 111.073 -179.891 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 8' ' ' LEU . . . . . . . . . . . . . 6.4 mp -76.31 -13.94 60.13 Favored 'General case' 0 C--O 1.235 0.305 0 CA-C-N 116.091 -0.504 . . . . 10.0 111.759 -179.372 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 9' ' ' ASN . . . . . . . . . . . . . 25.8 t-20 -81.26 -19.85 42.19 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.047 0.451 . . . . 10.0 110.375 179.786 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 10' ' ' ASN . . . . . . . . . . . . . 69.9 m-20 -96.39 119.41 34.82 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.088 0.471 . . . . 10.0 110.987 -179.699 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 11' ' ' ILE . . . . . . . . . . . . . 4.8 tp -62.94 -28.18 44.56 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.189 0 CA-C-N 115.872 -0.604 . . . . 10.0 111.022 -179.913 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 12' ' ' ARG . . . . . . . . . . . . . 26.3 mmt180 -62.99 -48.48 78.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.244 -0.434 . . . . 10.0 111.384 -179.712 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 13' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -75.93 -38.94 57.14 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 120.649 0.262 . . . . 10.0 111.546 -179.311 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 14' ' ' LEU . . . . . . . . . . . . . 13.1 tp -61.82 -41.88 98.33 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.843 0.354 . . . . 10.0 110.686 -179.783 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 15' ' ' ARG . . . . . 0.414 HH11 ' HD2' ' C' ' 15' ' ' ARG . 20.8 ttm180 -71.92 -7.8 50.66 Favored 'General case' 0 CA--C 1.534 0.352 0 CA-C-O 121.351 0.596 . . . . 10.0 110.598 179.779 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 16' ' ' ALA . . . . . . . . . . . . . . . -100.89 -45.05 5.56 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.124 -0.489 . . . . 10.0 111.126 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 17' ' ' GLN . . . . . . . . . . . . . 96.8 mt-30 -69.62 -31.62 69.84 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.245 -0.434 . . . . 10.0 111.418 -179.388 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 18' ' ' ALA . . . . . . . . . . . . . . . -70.39 -0.66 8.68 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 112.523 0.564 . . . . 10.0 112.523 -179.205 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 19' ' ' ARG . . . . . . . . . . . . . 67.3 mtt180 -86.38 -16.17 38.11 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.032 0.444 . . . . 10.0 110.262 179.442 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 20' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -74.63 -63.19 1.3 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.668 -0.696 . . . . 10.0 110.838 179.644 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 21' ' ' CYS . . . . . . . . . . . . . 74.4 m -70.29 157.79 37.07 Favored 'General case' 0 CA--C 1.51 -0.572 0 CA-C-O 122.254 1.025 . . . . 0.0 110.951 -179.357 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 22' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -83.8 167.9 16.67 Favored 'General case' 0 N--CA 1.45 -0.444 0 CA-C-N 114.758 -1.11 . . . . 10.0 110.302 178.027 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 21.4 tp -54.87 -43.11 72.83 Favored 'General case' 0 C--N 1.332 -0.159 0 O-C-N 123.142 0.276 . . . . 10.0 111.733 -179.4 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 24' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -50.0 -58.16 6.05 Favored 'General case' 0 N--CA 1.465 0.276 0 O-C-N 123.492 0.495 . . . . 10.0 111.652 -179.849 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 25' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -62.22 -36.12 81.01 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.096 -0.502 . . . . 10.0 111.969 -179.009 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 26' ' ' LEU . . . . . . . . . . . . . 76.6 mt -65.4 -42.94 92.05 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.85 0.357 . . . . 10.0 110.628 179.85 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 27' ' ' GLU . . . . . 0.511 ' O ' ' HG3' ' C' ' 31' ' ' GLU . 12.1 mt-10 -67.94 -47.21 69.32 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.03 -0.532 . . . . 10.0 110.347 179.782 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 28' ' ' GLU . . . . . . . . . . . . . 9.0 tt0 -53.77 -46.65 71.05 Favored 'General case' 0 N--CA 1.462 0.163 0 O-C-N 123.404 0.44 . . . . 10.0 111.073 -179.623 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 29' ' ' MET . . . . . . . . . . . . . 16.0 ptp -75.19 -30.61 60.7 Favored 'General case' 0 C--N 1.328 -0.342 0 C-N-CA 121.218 -0.193 . . . . 10.0 111.357 -179.51 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 30' ' ' LEU . . . . . . . . . . . . . 19.8 tp -64.04 -45.5 88.57 Favored 'General case' 0 C--O 1.234 0.247 0 CA-C-O 121.055 0.455 . . . . 10.0 110.205 179.265 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 31' ' ' GLU . . . . . 0.511 ' HG3' ' O ' ' C' ' 27' ' ' GLU . 65.1 mt-10 -63.69 -32.28 73.71 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.599 -0.728 . . . . 10.0 110.383 179.847 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 32' ' ' LYS . . . . . 0.599 ' O ' HG23 ' C' ' 36' ' ' VAL . 29.0 mttt -73.79 -33.16 64.1 Favored 'General case' 0 N--CA 1.452 -0.36 0 CA-C-N 115.868 -0.605 . . . . 10.0 110.631 179.637 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 33' ' ' LEU . . . . . 0.407 HD13 HD21 ' B' ' 14' ' ' LEU . 63.3 tp -76.64 -42.44 42.06 Favored 'General case' 0 C--O 1.235 0.312 0 CA-C-O 120.571 0.224 . . . . 10.0 110.786 179.474 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 34' ' ' GLU . . . . . 0.417 ' HG2' ' HA ' ' C' ' 31' ' ' GLU . 8.7 pt-20 -63.01 -33.18 74.87 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.405 -0.361 . . . . 10.0 110.786 -179.236 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 35' ' ' VAL . . . . . 0.556 HG12 ' O ' ' C' ' 32' ' ' LYS . 2.9 p -71.17 -33.64 51.73 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.262 0 C-N-CA 120.74 -0.384 . . . . 10.0 110.497 179.685 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 36' ' ' VAL . . . . . 0.599 HG23 ' O ' ' C' ' 32' ' ' LYS . 96.7 t -69.35 -45.63 78.54 Favored 'Isoleucine or valine' 0 C--O 1.234 0.246 0 N-CA-C 109.652 -0.499 . . . . 10.0 109.652 179.229 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 37' ' ' VAL . . . . . . . . . . . . . 59.0 t -62.85 -37.68 79.84 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.324 0 N-CA-C 109.229 -0.656 . . . . 10.0 109.229 178.888 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 38' ' ' ASN . . . . . 0.471 ' O ' ' HG3' ' C' ' 42' ' ' GLU . 13.4 t-20 -58.38 -45.5 88.19 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 115.944 -0.571 . . . . 10.0 109.901 178.776 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 39' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -58.97 -41.63 88.0 Favored 'General case' 0 N--CA 1.461 0.116 0 CA-C-N 116.306 -0.406 . . . . 10.0 110.148 179.17 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 40' ' ' ARG . . . . . 0.555 ' HD2' ' OE1' ' C' ' 43' ' ' GLU . 7.1 mmm180 -64.89 -36.51 84.58 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.489 -0.778 . . . . 10.0 110.625 179.769 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 41' ' ' ARG . . . . . . . . . . . . . 4.9 mmm180 -61.82 -38.65 88.95 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.912 -0.585 . . . . 10.0 110.418 179.715 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 42' ' ' GLU . . . . . 0.471 ' HG3' ' O ' ' C' ' 38' ' ' ASN . 6.1 mt-10 -67.99 -29.72 68.81 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.03 -0.532 . . . . 10.0 110.815 -179.611 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 43' ' ' GLU . . . . . 0.555 ' OE1' ' HD2' ' C' ' 40' ' ' ARG . 48.5 mt-10 -72.15 -54.74 8.81 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.275 0.559 . . . . 10.0 109.944 179.325 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 44' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.324 -0.511 0 CA-C-N 115.342 -0.845 . . . . 10.0 112.135 -179.506 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.659 ' N ' ' HH ' ' A' ' 11' ' ' TYR . 6.9 mp . . . . . 0 N--CA 1.479 1.008 0 N-CA-C 110.275 -0.269 . . . . 10.0 110.275 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -71.87 154.07 41.48 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.175 -0.466 . . . . 10.0 110.995 -179.902 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 8' ' ' LYS . . . . . 0.541 ' HD2' ' CB ' ' A' ' 45' ' ' SER . 21.0 ttpt -60.68 -38.64 85.6 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.344 0.592 . . . . 10.0 110.581 179.908 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -68.07 -28.55 67.46 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.332 -0.849 . . . . 10.0 111.818 -179.803 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -62.63 -46.7 87.06 Favored 'General case' 0 N--CA 1.463 0.213 0 CA-C-O 120.87 0.367 . . . . 10.0 110.828 -179.492 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' TYR . . . . . 0.659 ' HH ' ' N ' ' A' ' 6' ' ' LEU . 27.8 m-85 -72.48 -40.68 66.74 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 109.607 -0.516 . . . . 10.0 109.607 179.163 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 55.7 tp -57.6 -48.5 79.23 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.392 -0.822 . . . . 10.0 111.285 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 62.9 mmm -65.8 -35.89 81.96 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.671 0.272 . . . . 10.0 111.308 -179.644 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.68 -31.99 73.02 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.138 0.494 . . . . 10.0 109.931 179.212 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 96.4 mt -86.34 -5.83 59.08 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.147 -0.479 . . . . 10.0 111.171 179.72 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -70.69 -16.71 62.82 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.753 0.311 . . . . 10.0 111.019 -179.747 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 17' ' ' ARG . . . . . 0.404 HH11 ' HD3' ' A' ' 17' ' ' ARG . 17.2 mtm-85 -90.59 -3.36 57.62 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.139 0.495 . . . . 10.0 110.433 179.847 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 46.3 m -89.9 119.24 30.1 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.825 -0.625 . . . . 10.0 110.064 179.618 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 3.7 mm-40 -119.24 -175.19 2.88 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.927 -0.579 . . . . 10.0 110.979 -179.338 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 1.2 m 67.31 -4.4 0.88 Allowed 'General case' 0 N--CA 1.472 0.643 0 N-CA-C 113.196 0.813 . . . . 10.0 113.196 178.706 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 90.4 mt 70.61 -54.42 0.27 Allowed 'Isoleucine or valine' 0 N--CA 1.469 0.518 0 C-N-CA 122.985 0.514 . . . . 10.0 111.674 -179.719 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' ASP . . . . . 0.444 ' O ' ' HG3' ' A' ' 26' ' ' ARG . 34.7 t70 -56.43 -42.35 77.92 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.794 0.33 . . . . 10.0 111.029 179.863 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 3.3 m -60.9 -30.54 70.24 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.011 0.434 . . . . 10.0 110.744 179.694 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 22.6 tp -75.79 -44.13 42.86 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 109.555 -0.535 . . . . 10.0 109.555 179.22 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 7.7 tp10 -59.07 -31.3 68.75 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.643 -0.708 . . . . 10.0 110.626 179.909 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' ARG . . . . . 0.444 ' HG3' ' O ' ' A' ' 22' ' ' ASP . 77.7 mtt180 -74.76 -48.95 22.79 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.294 -0.412 . . . . 10.0 111.682 179.723 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 9.8 p -64.52 -35.3 74.15 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.36 0 N-CA-C 112.422 0.527 . . . . 10.0 112.422 -178.028 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 50.6 pt -69.8 -27.4 33.12 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.123 0 O-C-N 122.161 -0.337 . . . . 10.0 110.591 179.873 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 51.6 tp10 -71.01 -39.65 72.28 Favored 'General case' 0 N--CA 1.456 -0.161 0 N-CA-C 109.508 -0.553 . . . . 10.0 109.508 179.232 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 20.7 mtpp -65.32 -48.47 72.97 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.782 -0.645 . . . . 10.0 110.224 179.32 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' ASN . . . . . 0.412 ' O ' ' HG ' ' A' ' 35' ' ' LEU . 7.2 m-80 -62.35 -25.76 68.08 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.576 -0.738 . . . . 10.0 111.196 -179.646 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 33.4 ttmt -59.47 -29.82 68.09 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.853 0.358 . . . . 10.0 110.964 179.695 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 29.9 m-85 -110.29 -2.2 16.87 Favored 'General case' 0 CA--C 1.531 0.229 0 CA-C-O 120.881 0.372 . . . . 10.0 111.347 -179.229 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 69.4 mt-10 -103.68 -23.32 13.46 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.663 -0.244 . . . . 10.0 111.386 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.412 ' HG ' ' O ' ' A' ' 31' ' ' ASN . 45.6 mt -73.72 154.1 39.77 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.939 0.399 . . . . 10.0 111.279 -179.389 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -86.57 19.85 2.7 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.953 -0.567 . . . . 10.0 111.804 -179.066 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 97.8 m-20 71.22 -41.42 0.5 Allowed 'General case' 0 C--O 1.259 1.593 0 C-N-CA 124.966 1.306 . . . . 0.0 111.033 177.661 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 30.6 p-10 -57.63 -52.51 65.14 Favored 'General case' 0 C--N 1.319 -0.722 0 O-C-N 120.274 -1.516 . . . . 10.0 111.626 -178.576 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -82.44 2.42 32.71 Favored 'General case' 0 C--N 1.331 -0.221 0 N-CA-C 111.9 0.333 . . . . 10.0 111.9 -179.332 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 41.8 tp -66.95 -23.04 65.91 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.162 0.506 . . . . 10.0 109.911 179.292 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -67.8 -49.69 60.99 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.713 -0.676 . . . . 10.0 110.934 179.848 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -73.96 -26.22 21.01 Favored 'Isoleucine or valine' 0 C--O 1.232 0.15 0 CA-C-O 121.018 0.437 . . . . 10.0 110.664 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 45.7 t80 -68.33 -33.09 73.67 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.013 -0.54 . . . . 10.0 110.093 179.054 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 2.2 m-85 -57.11 -52.6 64.65 Favored 'General case' 0 N--CA 1.462 0.161 0 CA-C-N 116.036 -0.529 . . . . 10.0 110.334 179.281 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' SER . . . . . 0.541 ' CB ' ' HD2' ' A' ' 8' ' ' LYS . 71.7 m -60.25 -35.59 75.85 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.655 -0.702 . . . . 10.0 111.517 179.804 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -66.02 -44.88 83.42 Favored 'General case' 0 C--O 1.235 0.336 0 CA-C-O 120.941 0.401 . . . . 10.0 110.355 179.499 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -66.68 -46.65 74.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.539 -0.755 . . . . 10.0 110.292 179.299 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 30.4 m-20 -57.43 -47.51 81.58 Favored 'General case' 0 C--O 1.231 0.108 0 CA-C-N 115.902 -0.59 . . . . 10.0 110.568 179.552 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 49' ' ' HIS . . . . . 0.558 ' O ' ' HG2' ' A' ' 53' ' ' GLU . 17.3 t-80 -60.77 -52.61 64.38 Favored 'General case' 0 CA--C 1.521 -0.149 0 CA-C-N 116.045 -0.525 . . . . 10.0 110.635 -179.885 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 27.6 tpt180 -59.89 -43.8 94.6 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.245 -0.434 . . . . 10.0 111.458 -178.696 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.561 HD21 ' HG3' ' A' ' 72' ' ' ARG . 53.4 tp -60.56 -43.25 97.46 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 120.548 0.213 . . . . 10.0 111.485 -179.333 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -58.92 -52.62 64.94 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.428 -0.351 . . . . 10.0 111.578 -179.808 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 53' ' ' GLU . . . . . 0.558 ' HG2' ' O ' ' A' ' 49' ' ' HIS . 5.7 pt-20 -72.86 -24.32 60.85 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.29 -0.414 . . . . 10.0 111.642 -179.027 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 13.7 tp -73.06 -40.5 65.02 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.622 -0.263 . . . . 10.0 110.683 179.897 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 15.7 m -66.03 -38.54 88.65 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.17 0.51 . . . . 10.0 110.518 179.737 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 80.6 mmm -81.82 -17.18 48.37 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.835 -0.621 . . . . 10.0 110.4 179.338 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 54.1 t30 62.99 40.42 9.3 Favored 'General case' 0 N--CA 1.466 0.346 0 CA-C-N 115.578 -0.737 . . . . 10.0 110.638 -179.591 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 21.0 tptp -151.13 124.65 8.96 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.399 -0.819 . . . . 10.0 109.087 -179.704 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 6.0 mp -76.12 130.55 38.46 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 120.918 0.389 . . . . 10.0 111.447 -178.984 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 68.2 m-85 -125.4 144.7 50.39 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.976 -0.556 . . . . 10.0 110.455 179.711 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -63.55 -59.75 4.23 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 121.134 0.492 . . . . 10.0 110.0 179.18 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 7.3 ttpp -113.42 148.08 36.54 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 107.723 -1.214 . . . . 10.0 107.723 177.466 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 45.0 mm -80.99 120.05 77.72 Favored Pre-proline 0 C--N 1.317 -0.822 0 C-N-CA 120.794 -0.362 . . . . 10.0 110.826 -179.342 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 64' ' ' PRO . . . . . 0.449 ' O ' HG12 ' A' ' 67' ' ' VAL . 24.6 Cg_exo -62.42 133.84 45.16 Favored 'Trans proline' 0 N--CA 1.465 -0.201 0 C-N-CA 122.409 2.073 . . . . 10.0 111.424 178.805 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -57.57 -28.59 63.7 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 120.92 0.391 . . . . 10.0 111.832 -179.215 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 94.1 p -81.26 -12.47 59.09 Favored 'General case' 0 C--O 1.252 1.205 0 C-N-CA 122.933 0.493 . . . . 0.0 110.982 -178.256 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.449 HG12 ' O ' ' A' ' 64' ' ' PRO . 0.7 OUTLIER -92.82 -10.29 9.6 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.892 0 CA-C-N 119.577 1.08 . . . . 10.0 111.35 -177.622 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 68' ' ' TRP . . . . . 0.402 ' HB2' HG11 ' C' ' 35' ' ' VAL . 22.1 m95 -64.32 -19.71 65.61 Favored 'General case' 0 CA--C 1.531 0.229 0 CA-C-O 121.156 0.503 . . . . 10.0 111.24 -179.921 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 14.9 tptp -74.67 -2.96 28.56 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.141 -0.481 . . . . 10.0 112.023 -178.79 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 62.9 m-85 -107.04 10.87 30.19 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 111.909 0.337 . . . . 10.0 111.909 -179.209 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 1.6 mp -84.26 134.44 26.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-O 120.794 0.33 . . . . 10.0 110.76 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 72' ' ' ARG . . . . . 0.561 ' HG3' HD21 ' A' ' 51' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--O 1.25 1.091 0 CA-C-O 118.473 -0.775 . . . . 10.0 110.654 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 3.5 pm0 . . . . . 0 C--O 1.232 0.178 0 CA-C-O 120.887 0.375 . . . . 10.0 111.2 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . -62.14 -41.43 98.26 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.171 -0.468 . . . . 10.0 111.585 -179.351 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 5' ' ' LEU . . . . . 0.426 ' HA ' ' HB3' ' B' ' 8' ' ' LEU . 5.2 mp -84.95 0.18 52.15 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.275 -0.421 . . . . 10.0 111.634 -179.113 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 8.1 tttt -76.29 -41.13 49.75 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.898 0.38 . . . . 10.0 110.44 -179.751 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 7' ' ' ILE . . . . . . . . . . . . . 23.0 pt -90.22 -10.55 10.21 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-O 121.089 0.471 . . . . 10.0 110.53 179.475 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 8' ' ' LEU . . . . . 0.426 ' HB3' ' HA ' ' B' ' 5' ' ' LEU . 34.5 tp -82.07 -11.8 58.59 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.376 -0.829 . . . . 10.0 110.398 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 9' ' ' ASN . . . . . . . . . . . . . 65.5 t30 -84.71 5.87 26.51 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.792 -0.64 . . . . 10.0 112.009 -178.77 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 10' ' ' ASN . . . . . 0.47 ' OD1' ' HB2' ' B' ' 12' ' ' ARG . 23.2 t-20 -140.04 136.43 33.66 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 121.133 0.492 . . . . 10.0 111.36 179.863 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 46.6 mt -68.7 -40.42 81.59 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-N 115.458 -0.792 . . . . 10.0 112.229 -178.722 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 12' ' ' ARG . . . . . 0.47 ' HB2' ' OD1' ' B' ' 10' ' ' ASN . 96.6 mtt180 -60.85 -43.95 97.66 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.602 0.239 . . . . 10.0 111.472 -178.544 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 13' ' ' THR . . . . . . . . . . . . . 2.4 p -74.67 -34.03 62.6 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.748 0.309 . . . . 10.0 111.124 179.673 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 14' ' ' LEU . . . . . 0.433 HD21 HD13 ' C' ' 33' ' ' LEU . 8.9 tp -66.73 -39.78 88.12 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.258 -0.428 . . . . 10.0 111.517 -179.713 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 63.6 mtt180 -56.8 -36.39 69.83 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.368 -0.378 . . . . 10.0 110.926 179.905 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 16' ' ' ALA . . . . . . . . . . . . . . . -66.43 -51.9 52.13 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.868 -0.605 . . . . 10.0 111.663 -179.297 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 17' ' ' GLN . . . . . 0.492 ' O ' ' HG2' ' B' ' 20' ' ' GLU . 0.7 OUTLIER -67.79 -24.43 65.31 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.732 -0.213 . . . . 10.0 111.52 -179.058 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -76.22 1.08 16.89 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 112.151 0.426 . . . . 10.0 112.151 -179.543 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 28.5 mmt180 -90.21 -17.19 27.96 Favored 'General case' 0 C--N 1.328 -0.363 0 C-N-CA 121.135 -0.226 . . . . 10.0 111.372 -179.689 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 20' ' ' GLU . . . . . 0.492 ' HG2' ' O ' ' B' ' 17' ' ' GLN . 12.9 pt-20 -93.88 -1.88 54.16 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.245 0.545 . . . . 10.0 110.979 179.878 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 21' ' ' CYS . . . . . 1.391 ' SG ' ' HB ' ' B' ' 25' ' ' THR . 53.8 t -117.28 137.49 52.37 Favored 'General case' 0 CA--C 1.51 -0.585 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.003 178.856 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 1.7 m -73.69 158.16 35.2 Favored 'General case' 0 C--N 1.316 -0.851 0 O-C-N 123.898 0.749 . . . . 10.0 109.959 178.783 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 44.2 tp -53.75 -37.45 63.4 Favored 'General case' 0 C--N 1.333 -0.134 0 CA-C-O 120.735 0.302 . . . . 10.0 110.605 179.831 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 7.4 tp10 -57.46 -48.75 78.34 Favored 'General case' 0 C--O 1.235 0.298 0 CA-C-N 115.745 -0.661 . . . . 10.0 110.809 179.395 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 25' ' ' THR . . . . . 1.391 ' HB ' ' SG ' ' B' ' 21' ' ' CYS . 0.2 OUTLIER -65.54 -38.01 88.37 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.05 -0.523 . . . . 10.0 110.804 -179.93 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 86.7 mt -63.85 -47.88 78.99 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.97 -0.559 . . . . 10.0 110.659 179.912 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 27' ' ' GLU . . . . . 0.496 ' OE1' ' HD3' ' C' ' 41' ' ' ARG . 4.9 tp10 -62.58 -36.69 83.5 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.967 0.413 . . . . 10.0 110.214 179.097 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -65.3 -49.92 67.65 Favored 'General case' 0 C--O 1.234 0.261 0 CA-C-N 115.678 -0.692 . . . . 10.0 110.743 179.839 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 29' ' ' MET . . . . . . . . . . . . . 5.3 ppp? -72.36 -25.44 61.53 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.531 -0.304 . . . . 10.0 111.753 -178.873 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 62.9 tp -64.36 -44.68 90.66 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.919 0.39 . . . . 10.0 110.001 179.325 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 31' ' ' GLU . . . . . 0.426 ' O ' HG22 ' B' ' 35' ' ' VAL . 38.8 mt-10 -64.09 -33.24 75.32 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.843 -0.617 . . . . 10.0 109.717 178.98 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 39.2 mmtm -62.59 -43.23 99.32 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.611 -0.722 . . . . 10.0 110.456 179.245 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 33' ' ' LEU . . . . . 0.426 ' O ' HG23 ' B' ' 37' ' ' VAL . 43.4 tp -75.5 -38.95 59.12 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.377 -0.374 . . . . 10.0 110.549 179.907 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 3.9 tp10 -55.18 -50.34 69.6 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.195 -0.457 . . . . 10.0 111.201 -179.818 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 35' ' ' VAL . . . . . 0.558 ' O ' ' HG3' ' B' ' 39' ' ' GLU . 12.3 m -63.29 -33.16 59.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 C-N-CA 120.897 -0.321 . . . . 10.0 111.206 -179.895 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 35.1 t -67.8 -44.82 85.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 N-CA-C 109.965 -0.383 . . . . 10.0 109.965 179.376 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 37' ' ' VAL . . . . . 0.426 HG23 ' O ' ' B' ' 33' ' ' LEU . 61.5 t -64.3 -38.34 82.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.413 0 N-CA-C 109.197 -0.668 . . . . 10.0 109.197 178.459 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 29.7 t-20 -61.64 -44.7 96.48 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.582 -0.735 . . . . 10.0 109.713 178.727 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 39' ' ' GLU . . . . . 0.558 ' HG3' ' O ' ' B' ' 35' ' ' VAL . 40.4 mt-10 -62.47 -47.22 84.96 Favored 'General case' 0 C--O 1.232 0.179 0 CA-C-O 121.007 0.432 . . . . 10.0 110.427 179.004 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 40' ' ' ARG . . . . . 0.419 ' HB3' HD13 ' C' ' 23' ' ' LEU . 17.4 mmm-85 -61.09 -48.04 83.54 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.906 -0.588 . . . . 10.0 110.588 179.283 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 41' ' ' ARG . . . . . 0.407 ' HG3' HD11 ' C' ' 23' ' ' LEU . 36.9 mtt180 -61.23 -40.42 93.96 Favored 'General case' 0 C--N 1.333 -0.141 0 CA-C-N 116.368 -0.378 . . . . 10.0 110.89 179.638 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 21.2 tp10 -60.9 -47.85 84.49 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.331 -0.395 . . . . 10.0 110.815 179.88 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 90.5 mt-10 -70.69 -27.07 63.72 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 116.242 -0.435 . . . . 10.0 111.347 -179.876 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 2.3 tp10 -76.76 -32.83 57.99 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.204 -0.453 . . . . 10.0 111.014 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 45' ' ' SER . . . . . . . . . . . . . 4.3 p -83.58 -47.33 11.41 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.402 -0.363 . . . . 10.0 110.854 -179.626 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.322 0 CA-C-O 121.25 0.548 . . . . 10.0 110.729 179.891 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' C' C ' 3' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.15 0 N-CA-C 109.776 -0.453 . . . . 10.0 109.776 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 4' ' ' ALA . . . . . . . . . . . . . . . -72.34 -34.43 68.03 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.739 -0.664 . . . . 10.0 111.333 -179.271 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 5' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -72.16 -19.37 61.77 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.45 -0.341 . . . . 10.0 111.641 -179.56 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 6' ' ' LYS . . . . . . . . . . . . . 22.2 tptm -69.34 -33.12 72.63 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.734 0.302 . . . . 10.0 111.46 -178.936 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 7' ' ' ILE . . . . . . . . . . . . . 29.6 pt -86.49 -10.11 11.18 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 C-N-CA 120.966 -0.293 . . . . 10.0 111.427 -179.439 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 8' ' ' LEU . . . . . . . . . . . . . 2.9 mp -77.82 -20.7 52.73 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.207 0.527 . . . . 10.0 110.266 179.598 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 9' ' ' ASN . . . . . . . . . . . . . 28.1 t-20 -80.84 -15.5 56.21 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.663 0.744 . . . . 10.0 109.664 178.789 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 10' ' ' ASN . . . . . . . . . . . . . 7.4 m-80 -90.66 114.47 26.77 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.218 -0.901 . . . . 10.0 110.466 -179.419 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 11' ' ' ILE . . . . . . . . . . . . . 9.3 tp -63.63 -27.04 42.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-N 115.88 -0.6 . . . . 10.0 111.14 -179.664 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 12' ' ' ARG . . . . . . . . . . . . . 16.6 mmt180 -65.97 -42.89 89.32 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.152 -0.476 . . . . 10.0 111.496 -179.374 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 13' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -82.11 -35.33 28.67 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 120.854 0.359 . . . . 10.0 110.899 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 14' ' ' LEU . . . . . . . . . . . . . 10.2 tp -62.58 -37.92 88.1 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.952 0.406 . . . . 10.0 110.451 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 15' ' ' ARG . . . . . . . . . . . . . 16.3 mtt180 -67.78 -15.67 63.75 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.088 -0.505 . . . . 10.0 111.262 179.476 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 16' ' ' ALA . . . . . . . . . . . . . . . -98.33 -39.52 8.77 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.921 0.391 . . . . 10.0 110.912 179.909 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 17' ' ' GLN . . . . . . . . . . . . . 20.9 mm-40 -64.91 -35.89 82.61 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.002 -0.545 . . . . 10.0 111.121 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 18' ' ' ALA . . . . . . . . . . . . . . . -74.72 10.26 1.47 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.105 -0.498 . . . . 10.0 112.127 -179.355 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 19' ' ' ARG . . . . . . . . . . . . . 61.1 mtt-85 -102.02 -16.48 16.45 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.373 0.606 . . . . 10.0 109.952 179.439 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 20' ' ' GLU . . . . . . . . . . . . . 29.5 tt0 -93.01 -23.15 18.77 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.673 -0.694 . . . . 10.0 110.392 -179.826 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 21' ' ' CYS . . . . . . . . . . . . . 74.1 m -97.94 144.37 27.56 Favored 'General case' 0 CA--C 1.51 -0.56 0 CA-C-O 121.442 0.639 . . . . 0.0 111.058 -179.445 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 22' ' ' THR . . . . . . . . . . . . . 2.0 m -72.52 147.93 45.51 Favored 'General case' 0 C--O 1.238 0.482 0 CA-C-N 115.991 -0.549 . . . . 10.0 110.289 178.016 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 23' ' ' LEU . . . . . 0.419 HD13 ' HB3' ' B' ' 40' ' ' ARG . 46.0 tp -58.06 -38.05 75.59 Favored 'General case' 0 C--N 1.333 -0.145 0 O-C-N 123.136 0.273 . . . . 10.0 111.223 179.809 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 24' ' ' GLU . . . . . . . . . . . . . 40.5 tt0 -58.2 -48.99 78.62 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.831 0.348 . . . . 10.0 110.967 -179.876 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 25' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -64.99 -36.83 85.66 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.112 -0.495 . . . . 10.0 110.865 179.763 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 26' ' ' LEU . . . . . . . . . . . . . 20.8 mt -62.07 -41.48 98.2 Favored 'General case' 0 N--CA 1.463 0.219 0 CA-C-N 115.88 -0.6 . . . . 10.0 110.216 179.366 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 27' ' ' GLU . . . . . . . . . . . . . 25.7 tt0 -65.1 -48.06 75.0 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.087 -0.506 . . . . 10.0 110.571 179.348 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 28' ' ' GLU . . . . . . . . . . . . . 7.5 tt0 -57.29 -46.28 83.3 Favored 'General case' 0 C--O 1.234 0.267 0 CA-C-N 116.138 -0.483 . . . . 10.0 111.354 -179.128 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 29' ' ' MET . . . . . 0.416 ' SD ' HD23 ' B' ' 5' ' ' LEU . 19.2 ptp -75.83 -25.15 56.01 Favored 'General case' 0 C--N 1.326 -0.427 0 C-N-CA 120.743 -0.383 . . . . 10.0 111.667 -179.54 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 30' ' ' LEU . . . . . . . . . . . . . 26.3 tp -64.53 -44.92 89.34 Favored 'General case' 0 CA--C 1.52 -0.182 0 N-CA-C 109.541 -0.54 . . . . 10.0 109.541 179.088 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 31' ' ' GLU . . . . . . . . . . . . . 68.8 mt-10 -64.03 -31.38 72.55 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.773 -0.648 . . . . 10.0 109.911 179.233 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 32' ' ' LYS . . . . . 0.473 ' O ' HG23 ' C' ' 36' ' ' VAL . 86.3 mttt -70.96 -36.4 72.55 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.877 -0.601 . . . . 10.0 110.533 179.358 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 33' ' ' LEU . . . . . 0.443 ' O ' HG23 ' C' ' 37' ' ' VAL . 53.7 tp -73.41 -37.68 65.83 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 109.835 -0.431 . . . . 10.0 109.835 178.776 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 34' ' ' GLU . . . . . . . . . . . . . 15.5 tp10 -53.4 -49.48 67.18 Favored 'General case' 0 C--O 1.234 0.259 0 CA-C-N 115.47 -0.786 . . . . 10.0 111.02 179.791 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 35' ' ' VAL . . . . . 0.477 ' O ' ' HG3' ' C' ' 39' ' ' GLU . 16.1 m -68.11 -34.36 66.2 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 C-N-CA 120.886 -0.325 . . . . 10.0 111.379 -179.429 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 36' ' ' VAL . . . . . 0.473 HG23 ' O ' ' C' ' 32' ' ' LYS . 65.7 t -62.62 -46.55 96.12 Favored 'Isoleucine or valine' 0 C--O 1.233 0.187 0 N-CA-C 109.586 -0.524 . . . . 10.0 109.586 179.139 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 37' ' ' VAL . . . . . 0.443 HG23 ' O ' ' C' ' 33' ' ' LEU . 43.4 t -64.69 -39.54 85.98 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.267 0 N-CA-C 109.365 -0.606 . . . . 10.0 109.365 178.738 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 38' ' ' ASN . . . . . . . . . . . . . 1.1 t30 -59.52 -45.82 90.64 Favored 'General case' 0 C--O 1.234 0.237 0 CA-C-N 115.926 -0.579 . . . . 10.0 110.352 179.317 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 39' ' ' GLU . . . . . 0.477 ' HG3' ' O ' ' C' ' 35' ' ' VAL . 31.0 mt-10 -57.93 -42.16 84.24 Favored 'General case' 0 C--N 1.333 -0.136 0 CA-C-O 121.393 0.616 . . . . 10.0 109.417 178.98 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 40' ' ' ARG . . . . . . . . . . . . . 7.1 mmm180 -65.73 -38.81 90.16 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.038 -0.983 . . . . 10.0 110.337 179.229 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 41' ' ' ARG . . . . . 0.496 ' HD3' ' OE1' ' B' ' 27' ' ' GLU . 8.2 mmm180 -61.2 -42.94 99.48 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.811 -0.631 . . . . 10.0 109.618 178.631 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 42' ' ' GLU . . . . . . . . . . . . . 18.8 mt-10 -62.29 -43.94 97.66 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.428 -0.805 . . . . 10.0 111.159 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 43' ' ' GLU . . . . . . . . . . . . . 60.5 mt-10 -60.42 -52.29 65.87 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.241 -0.436 . . . . 10.0 111.244 -179.698 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 44' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.477 0 CA-C-N 116.295 -0.411 . . . . 10.0 111.122 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.699 ' N ' ' HH ' ' A' ' 11' ' ' TYR . 4.5 mp . . . . . 0 N--CA 1.479 0.98 0 N-CA-C 109.956 -0.387 . . . . 10.0 109.956 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -85.07 159.2 20.24 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 120.874 0.369 . . . . 10.0 111.199 -179.339 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 66.8 tttt -59.84 -33.9 72.39 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.734 -0.666 . . . . 10.0 110.783 179.597 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -59.71 -41.46 90.87 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.402 -0.817 . . . . 10.0 111.506 179.872 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -60.98 -50.33 73.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.973 -0.558 . . . . 10.0 110.879 -179.858 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' TYR . . . . . 0.699 ' HH ' ' N ' ' A' ' 6' ' ' LEU . 18.2 m-85 -64.54 -37.75 88.62 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.889 -0.596 . . . . 10.0 110.44 -179.8 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 38.9 tp -61.04 -40.96 95.61 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.896 -0.593 . . . . 10.0 110.694 -179.802 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 18.5 mmt -70.12 -36.94 75.17 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.981 0.419 . . . . 10.0 110.297 179.594 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.59 -34.58 78.56 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.995 -0.548 . . . . 10.0 110.521 179.65 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 52.7 mt -91.13 -11.62 37.98 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.383 -0.371 . . . . 10.0 111.606 -179.677 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -68.84 -21.64 64.27 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.068 0.461 . . . . 10.0 110.889 -179.934 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 17' ' ' ARG . . . . . 0.444 HH11 ' HD3' ' A' ' 17' ' ' ARG . 18.5 mtm180 -89.34 -0.76 57.72 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.106 -0.497 . . . . 10.0 110.93 -179.75 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 26.7 m -97.34 131.17 44.27 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 120.797 0.332 . . . . 10.0 110.35 -179.78 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' GLN . . . . . 0.418 ' C ' ' H ' ' A' ' 21' ' ' ILE . 7.2 mm-40 -129.02 -175.93 3.71 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.013 -0.54 . . . . 10.0 110.642 -179.81 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 20' ' ' THR . . . . . 0.404 ' O ' ' HB ' ' A' ' 21' ' ' ILE . 7.6 m 73.98 -18.06 0.42 Allowed 'General case' 0 CA--C 1.534 0.357 0 O-C-N 123.685 0.616 . . . . 10.0 111.521 179.257 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.418 ' H ' ' C ' ' A' ' 19' ' ' GLN . 75.7 mt 73.48 -44.57 0.14 Allowed 'Isoleucine or valine' 0 N--CA 1.469 0.506 0 C-N-CA 123.345 0.658 . . . . 10.0 111.463 179.674 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -55.18 -40.62 70.91 Favored 'General case' 0 N--CA 1.466 0.361 0 C-N-CA 122.884 0.474 . . . . 10.0 110.866 179.797 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 2.1 m -72.78 -33.66 66.44 Favored 'General case' 0 CA--C 1.533 0.304 0 CA-C-N 115.83 -0.623 . . . . 10.0 110.907 179.358 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.426 ' O ' HG12 ' A' ' 28' ' ' ILE . 16.6 tp -68.79 -40.06 79.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.963 -0.562 . . . . 10.0 110.004 179.598 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 3.8 tp10 -63.87 -22.83 67.1 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.492 -0.776 . . . . 10.0 110.955 179.761 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 73.7 mtt85 -92.12 -40.67 10.91 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.501 -0.318 . . . . 10.0 111.799 -179.503 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 6.5 p -64.19 -34.17 67.2 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.32 0 CA-C-N 116.555 -0.293 . . . . 10.0 111.675 -179.256 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.426 HG12 ' O ' ' A' ' 24' ' ' LEU . 23.3 pt -77.0 -27.86 16.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 C-N-CA 121.086 -0.246 . . . . 10.0 111.111 179.846 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 53.1 tp10 -73.42 -44.55 58.07 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.052 0.453 . . . . 10.0 110.037 179.67 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 23.2 mtpp -67.84 -41.98 82.12 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.841 -0.618 . . . . 10.0 110.583 179.696 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 59.6 t30 -68.73 -23.16 64.31 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.901 -0.591 . . . . 10.0 111.234 -179.485 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 28.0 ttmt -59.53 -33.14 71.02 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.385 -0.37 . . . . 10.0 111.234 -179.562 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 12.7 m-85 -94.77 5.21 52.53 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.603 0.24 . . . . 10.0 111.318 -179.217 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 30.0 mt-10 -111.22 -21.14 12.05 Favored 'General case' 0 C--N 1.324 -0.521 0 C-N-CA 121.008 -0.277 . . . . 10.0 111.451 -179.241 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 84.1 mt -77.33 169.59 18.04 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.936 0.398 . . . . 10.0 111.315 -179.41 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' SER . . . . . 0.515 ' O ' ' HB2' ' A' ' 37' ' ' ASP . 1.4 m -84.3 -9.66 58.29 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.156 -0.475 . . . . 10.0 110.748 -179.105 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 37' ' ' ASP . . . . . 0.515 ' HB2' ' O ' ' A' ' 36' ' ' SER . 97.0 m-20 79.67 -22.88 0.26 Allowed 'General case' 0 C--O 1.252 1.187 0 C-N-CA 123.981 0.913 . . . . 0.0 110.983 177.552 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 1.1 p-10 -80.69 -27.79 36.93 Favored 'General case' 0 C--N 1.33 -0.248 0 O-C-N 120.775 -1.203 . . . . 10.0 110.588 179.436 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -102.59 3.74 37.64 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 121.293 0.568 . . . . 10.0 110.082 179.635 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 25.0 tp -66.6 -20.26 65.96 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.292 -0.867 . . . . 10.0 110.338 179.49 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -59.97 -42.81 94.95 Favored 'General case' 0 CA--C 1.53 0.176 0 CA-C-N 115.804 -0.635 . . . . 10.0 111.614 -179.858 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.413 HG23 ' HE2' ' A' ' 11' ' ' TYR . 4.7 m -82.17 -21.29 9.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 C-N-CA 120.927 -0.309 . . . . 10.0 110.83 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 75.5 t80 -67.95 -41.2 82.86 Favored 'General case' 0 C--N 1.33 -0.271 0 N-CA-C 109.478 -0.564 . . . . 10.0 109.478 179.119 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 2.9 m-85 -64.9 -34.19 77.81 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.846 -0.615 . . . . 10.0 110.08 178.806 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 1.6 t -64.88 -28.63 69.67 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.864 -0.607 . . . . 10.0 110.114 179.119 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -82.22 -43.98 16.94 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.89 -0.595 . . . . 10.0 109.982 178.967 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -60.06 -50.56 73.23 Favored 'General case' 0 C--N 1.333 -0.116 0 CA-C-N 115.848 -0.614 . . . . 10.0 110.945 179.901 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 48' ' ' ASP . . . . . 0.43 ' OD2' ' HA ' ' B' ' 10' ' ' ASN . 65.3 m-20 -57.84 -51.68 68.61 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.634 -0.712 . . . . 10.0 110.361 179.632 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 49' ' ' HIS . . . . . 0.446 ' CE1' HG12 ' A' ' 63' ' ' ILE . 4.6 t60 -58.46 -43.08 88.71 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.316 -0.856 . . . . 10.0 111.667 -179.123 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 30.3 tpt180 -66.58 -41.32 88.73 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.599 -0.273 . . . . 10.0 110.957 -179.614 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 31.5 tp -66.26 -38.3 87.49 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.846 0.355 . . . . 10.0 110.842 -179.797 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -58.59 -54.16 50.21 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.06 -0.518 . . . . 10.0 111.662 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -71.01 -30.79 67.12 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.262 -0.426 . . . . 10.0 111.466 -179.068 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 7.8 tp -66.65 -38.56 87.14 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.658 0.266 . . . . 10.0 111.143 -179.647 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 16.3 m -68.52 -33.57 74.35 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 116.407 -0.361 . . . . 10.0 110.344 179.834 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 1.5 tmm? -86.42 -9.39 56.38 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.384 -0.371 . . . . 10.0 110.968 179.863 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 38.2 t30 62.81 33.51 15.21 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.607 -0.724 . . . . 10.0 111.296 179.788 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 7.9 tptp -151.57 126.36 9.64 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.564 -0.289 . . . . 10.0 110.27 -179.913 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 8.7 mp -70.22 121.77 18.21 Favored 'General case' 0 C--O 1.236 0.377 0 CA-C-O 120.823 0.344 . . . . 10.0 111.007 -179.448 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 29.0 m-85 -126.62 121.26 31.67 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.908 -0.587 . . . . 10.0 111.24 -179.315 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 15.2 m-20 -65.68 -39.19 91.03 Favored 'General case' 0 C--N 1.33 -0.244 0 N-CA-C 108.931 -0.766 . . . . 10.0 108.931 178.552 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 23.8 mttt -112.32 138.35 49.17 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 108.174 -1.047 . . . . 10.0 108.174 178.161 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.446 HG12 ' CE1' ' A' ' 49' ' ' HIS . 50.0 mm -102.66 121.43 49.64 Favored Pre-proline 0 C--N 1.319 -0.728 0 C-N-CA 120.88 -0.328 . . . . 10.0 111.556 -178.851 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 64' ' ' PRO . . . . . 0.441 ' HD3' ' HA ' ' A' ' 63' ' ' ILE . 4.7 Cg_exo -75.73 119.29 5.38 Favored 'Trans proline' 0 N--CA 1.455 -0.748 0 C-N-CA 122.126 1.884 . . . . 10.0 109.683 177.089 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -42.15 -37.4 1.43 Allowed 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 113.286 0.847 . . . . 10.0 113.286 -178.867 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 88.6 p -58.73 -29.3 66.6 Favored 'General case' 0 C--O 1.255 1.371 0 O-C-N 121.466 -0.771 . . . . 0.0 110.968 -177.992 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.407 HG12 ' O ' ' A' ' 64' ' ' PRO . 1.8 p -74.67 -22.09 17.33 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.817 0 CA-C-N 119.124 0.874 . . . . 10.0 112.247 -176.703 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 68' ' ' TRP . . . . . 0.863 ' HB2' HG11 ' C' ' 35' ' ' VAL . 39.3 m95 -64.91 -16.56 63.42 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 112.293 0.479 . . . . 10.0 112.293 -178.471 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 4.3 tppp? -73.14 -10.19 59.52 Favored 'General case' 0 CA--C 1.535 0.375 0 CA-C-O 121.323 0.582 . . . . 10.0 110.397 179.808 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 72.7 m-85 -107.46 2.2 24.06 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.142 -0.481 . . . . 10.0 111.343 -179.496 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 2.9 mp -120.52 127.76 75.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 120.871 0.367 . . . . 10.0 111.637 -179.206 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 72' ' ' ARG . . . . . 0.519 ' HA ' ' NH2' ' B' ' 15' ' ' ARG . 15.0 mmt85 . . . . . 0 C--O 1.244 0.797 0 CA-C-O 118.23 -0.89 . . . . 10.0 110.288 179.475 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.259 0 CA-C-O 121.004 0.431 . . . . 10.0 110.336 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . -74.69 -45.97 40.86 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.067 -0.515 . . . . 10.0 110.76 179.912 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 10.8 mp -65.64 -19.61 65.98 Favored 'General case' 0 N--CA 1.464 0.273 0 CA-C-O 121.147 0.499 . . . . 10.0 111.074 -179.528 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 21.4 tttm -64.38 -40.89 96.72 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.609 -0.723 . . . . 10.0 111.334 -179.892 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 7' ' ' ILE . . . . . 0.49 HG13 ' H ' ' B' ' 7' ' ' ILE . 1.1 pp -101.91 -10.68 9.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-O 120.762 0.315 . . . . 10.0 111.828 -179.221 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -85.19 -10.14 56.99 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 116.464 -0.334 . . . . 10.0 111.702 -179.037 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 9' ' ' ASN . . . . . . . . . . . . . 38.1 t30 -99.86 26.33 6.42 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.122 0.487 . . . . 10.0 111.296 -179.097 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 10' ' ' ASN . . . . . 0.492 ' OD1' ' HB2' ' B' ' 12' ' ' ARG . 5.0 t-20 -140.14 126.09 19.6 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.228 -0.442 . . . . 10.0 110.515 179.693 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 11' ' ' ILE . . . . . 0.434 HD12 ' NH2' ' B' ' 15' ' ' ARG . 11.2 pt -63.82 -26.33 40.36 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.184 0 CA-C-N 116.226 -0.443 . . . . 10.0 112.062 -179.506 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 12' ' ' ARG . . . . . 0.492 ' HB2' ' OD1' ' B' ' 10' ' ' ASN . 22.6 mmt85 -66.55 -53.59 33.1 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.501 -0.318 . . . . 10.0 111.092 -179.259 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 13' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -71.34 -38.95 71.62 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.39 -0.368 . . . . 10.0 111.753 -179.838 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 15.9 tp -60.5 -42.35 96.2 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.219 -0.446 . . . . 10.0 111.594 -179.4 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 15' ' ' ARG . . . . . 0.531 ' HD3' ' OE1' ' C' ' 39' ' ' GLU . 14.1 mtm180 -72.56 -12.11 60.93 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 111.663 0.245 . . . . 10.0 111.663 -179.213 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 16' ' ' ALA . . . . . . . . . . . . . . . -95.65 -42.55 8.34 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.211 0.529 . . . . 10.0 110.777 179.543 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 17' ' ' GLN . . . . . 0.439 ' O ' ' HG2' ' B' ' 20' ' ' GLU . 9.6 tp60 -71.96 -30.39 65.24 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.724 -0.671 . . . . 10.0 111.283 -179.54 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -76.47 0.04 21.23 Favored 'General case' 0 C--N 1.33 -0.255 0 N-CA-C 112.23 0.456 . . . . 10.0 112.23 -179.295 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 13.4 mmm180 -76.43 -15.64 59.88 Favored 'General case' 0 C--N 1.331 -0.225 0 C-N-CA 121.074 -0.25 . . . . 10.0 111.267 -179.602 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 20' ' ' GLU . . . . . 0.439 ' HG2' ' O ' ' B' ' 17' ' ' GLN . 12.9 pt-20 -90.18 7.38 38.32 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.907 0.384 . . . . 10.0 110.841 179.796 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 21' ' ' CYS . . . . . 1.397 ' SG ' ' HB ' ' B' ' 25' ' ' THR . 53.8 t -122.73 138.72 54.53 Favored 'General case' 0 CA--C 1.511 -0.548 0 CA-C-N 116.54 -0.3 . . . . 0.0 110.994 178.814 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -74.72 166.32 23.77 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 116.243 -0.435 . . . . 10.0 110.069 178.586 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 55.8 tp -55.95 -40.34 73.05 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.497 0.189 . . . . 10.0 110.823 179.76 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 24' ' ' GLU . . . . . 0.466 ' O ' ' HB2' ' B' ' 28' ' ' GLU . 0.7 OUTLIER -57.68 -51.61 68.84 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.169 -0.469 . . . . 10.0 111.268 179.681 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 25' ' ' THR . . . . . 1.397 ' HB ' ' SG ' ' B' ' 21' ' ' CYS . 0.1 OUTLIER -63.12 -36.0 82.15 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.98 -0.555 . . . . 10.0 111.327 -179.365 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 26' ' ' LEU . . . . . 0.449 ' O ' ' HG3' ' B' ' 29' ' ' MET . 70.0 mt -70.28 -44.17 68.94 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.557 -0.292 . . . . 10.0 111.019 -179.834 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 27' ' ' GLU . . . . . 0.585 ' OE2' ' HD3' ' C' ' 41' ' ' ARG . 96.9 mt-10 -66.9 -36.28 81.92 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.216 0.532 . . . . 10.0 109.8 179.01 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 28' ' ' GLU . . . . . 0.466 ' HB2' ' O ' ' B' ' 24' ' ' GLU . 1.2 tm-20 -61.62 -46.18 90.91 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 114.998 -1.001 . . . . 10.0 111.094 -179.876 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 29' ' ' MET . . . . . 0.449 ' HG3' ' O ' ' B' ' 26' ' ' LEU . 4.8 ppp? -77.04 -23.8 52.05 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.463 -0.335 . . . . 10.0 111.875 -179.251 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 63.2 tp -61.43 -51.62 67.98 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 120.75 0.309 . . . . 10.0 111.143 -179.741 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 15.2 mt-10 -63.71 -27.24 69.07 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.261 -0.427 . . . . 10.0 110.832 -179.873 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 32' ' ' LYS . . . . . 0.419 ' O ' HG23 ' B' ' 36' ' ' VAL . 45.6 mttm -64.56 -46.38 83.06 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.267 -0.424 . . . . 10.0 110.304 179.299 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 32.2 tp -75.37 -32.77 60.93 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.8 0.333 . . . . 10.0 110.492 -179.862 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -57.3 -47.56 81.18 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.978 -0.555 . . . . 10.0 110.786 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 35' ' ' VAL . . . . . . . . . . . . . 34.0 m -66.65 -33.63 64.72 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.166 0 C-N-CA 120.929 -0.309 . . . . 10.0 110.938 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 36' ' ' VAL . . . . . 0.419 HG23 ' O ' ' B' ' 32' ' ' LYS . 74.9 t -64.35 -53.02 48.16 Favored 'Isoleucine or valine' 0 C--O 1.232 0.16 0 CA-C-O 120.746 0.308 . . . . 10.0 110.203 179.183 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 48.1 t -62.83 -36.2 74.45 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-N 116.212 -0.449 . . . . 10.0 109.903 179.37 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 23.2 t30 -59.81 -51.56 69.22 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.903 -0.59 . . . . 10.0 110.078 178.691 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 92.3 mt-10 -60.07 -47.52 85.55 Favored 'General case' 0 CA--C 1.517 -0.291 0 CA-C-N 115.826 -0.625 . . . . 10.0 110.556 179.586 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 28.3 mmm-85 -58.62 -40.71 84.08 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.065 -0.516 . . . . 10.0 110.023 179.173 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 41' ' ' ARG . . . . . 0.407 ' HG2' HD21 ' C' ' 23' ' ' LEU . 74.1 mtt180 -58.91 -52.78 64.26 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.803 -0.635 . . . . 10.0 109.945 178.906 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 1.5 tp10 -58.17 -47.46 83.31 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.941 -0.572 . . . . 10.0 111.199 -179.662 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 61.2 mt-10 -59.6 -45.77 90.93 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.162 -0.472 . . . . 10.0 111.362 -179.363 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 47.5 mt-10 -81.71 6.72 14.44 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.927 0.394 . . . . 10.0 111.775 -179.331 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 45' ' ' SER . . . . . . . . . . . . . 71.1 m -115.16 -29.54 6.59 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.942 0.401 . . . . 10.0 109.963 178.163 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 115.887 -0.597 . . . . 10.0 110.604 179.205 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' C' C ' 3' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.176 0 CA-C-O 120.932 0.396 . . . . 10.0 110.647 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 4' ' ' ALA . . . . . . . . . . . . . . . -63.06 -39.77 95.7 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.188 0.518 . . . . 10.0 110.669 -179.804 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 5' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -79.12 -3.67 46.62 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.854 -0.612 . . . . 10.0 110.725 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 6' ' ' LYS . . . . . . . . . . . . . 23.3 tptm -85.68 -53.86 4.89 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.236 -0.438 . . . . 10.0 110.179 179.837 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 7' ' ' ILE . . . . . . . . . . . . . 9.7 pt -68.49 -24.76 29.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-N 115.942 -0.572 . . . . 10.0 111.743 -179.703 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 8' ' ' LEU . . . . . . . . . . . . . 3.9 mp -73.96 -10.8 60.01 Favored 'General case' 0 CA--C 1.532 0.254 0 CA-C-O 120.83 0.347 . . . . 10.0 111.478 179.893 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 9' ' ' ASN . . . . . . . . . . . . . 7.0 t-20 -89.43 2.93 53.81 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.22 0.534 . . . . 10.0 109.712 179.26 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 10' ' ' ASN . . . . . 0.524 ' HB3' ' OG1' ' C' ' 13' ' ' THR . 58.2 t-20 -118.33 119.67 35.33 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.938 -0.574 . . . . 10.0 110.051 179.69 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 11' ' ' ILE . . . . . . . . . . . . . 10.0 tp -64.4 -28.34 44.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 115.904 -0.589 . . . . 10.0 111.927 -179.079 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 12' ' ' ARG . . . . . . . . . . . . . 40.3 mmt180 -65.77 -51.04 62.38 Favored 'General case' 0 C--O 1.234 0.25 0 CA-C-O 120.748 0.309 . . . . 10.0 110.797 -179.424 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 13' ' ' THR . . . . . 0.524 ' OG1' ' HB3' ' C' ' 10' ' ' ASN . 0.3 OUTLIER -71.77 -35.93 70.2 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.016 -0.538 . . . . 10.0 110.713 179.887 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' C' C ' 14' ' ' LEU . . . . . . . . . . . . . 15.7 tp -59.66 -44.82 93.41 Favored 'General case' 0 N--CA 1.456 -0.167 0 CA-C-N 115.838 -0.619 . . . . 10.0 110.638 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 15' ' ' ARG . . . . . . . . . . . . . 15.1 mtt85 -66.43 -27.97 68.24 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.5 -0.318 . . . . 10.0 111.149 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 16' ' ' ALA . . . . . . . . . . . . . . . -79.15 -48.46 14.24 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.339 -0.391 . . . . 10.0 111.369 -179.563 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 17' ' ' GLN . . . . . . . . . . . . . 50.4 tt0 -66.89 -36.82 83.16 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.26 -0.427 . . . . 10.0 111.394 -179.387 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 18' ' ' ALA . . . . . . . . . . . . . . . -67.72 -20.93 65.32 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.857 0.36 . . . . 10.0 111.527 -179.834 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 19' ' ' ARG . . . . . . . . . . . . . 53.0 mtt180 -80.74 -1.69 43.82 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.842 0.354 . . . . 10.0 111.237 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 20' ' ' GLU . . . . . . . . . . . . . 24.9 mt-10 -96.14 18.14 14.21 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.102 0.477 . . . . 10.0 110.687 179.9 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 21' ' ' CYS . . . . . 0.454 ' SG ' HD21 ' C' ' 26' ' ' LEU . 29.5 p -153.57 162.64 41.07 Favored 'General case' 0 C--N 1.318 -0.777 0 C-N-CA 123.533 0.733 . . . . 0.0 110.939 178.868 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 22' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -79.89 166.71 21.39 Favored 'General case' 0 C--N 1.318 -0.778 0 O-C-N 123.832 0.707 . . . . 10.0 111.083 179.254 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 23' ' ' LEU . . . . . 0.407 HD21 ' HG2' ' B' ' 41' ' ' ARG . 46.1 tp -60.47 -37.22 80.32 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.053 -0.521 . . . . 10.0 110.405 -179.833 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 24' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -52.59 -50.6 62.69 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.159 -0.928 . . . . 10.0 112.007 -179.881 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 25' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -67.78 -37.45 82.08 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.865 0.364 . . . . 10.0 111.371 -179.282 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 26' ' ' LEU . . . . . 0.454 HD21 ' SG ' ' C' ' 21' ' ' CYS . 46.1 mt -69.1 -29.42 67.5 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.086 0.469 . . . . 10.0 110.781 -179.847 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 27' ' ' GLU . . . . . . . . . . . . . 5.7 tt0 -68.24 -55.75 11.13 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.638 -0.71 . . . . 10.0 111.648 -179.336 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 28' ' ' GLU . . . . . . . . . . . . . 5.4 tt0 -65.79 -16.92 64.24 Favored 'General case' 0 N--CA 1.464 0.241 0 CA-C-O 120.723 0.297 . . . . 10.0 111.42 -178.814 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 29' ' ' MET . . . . . . . . . . . . . 3.4 ptp -87.69 -24.58 23.83 Favored 'General case' 0 C--N 1.326 -0.436 0 C-N-CA 120.315 -0.554 . . . . 10.0 109.993 178.819 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 30' ' ' LEU . . . . . . . . . . . . . 15.0 tp -75.86 -47.28 26.17 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.315 -0.402 . . . . 10.0 110.354 179.733 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 31' ' ' GLU . . . . . . . . . . . . . 7.7 pt-20 -57.9 -37.43 74.01 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.961 -0.563 . . . . 10.0 110.891 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 32' ' ' LYS . . . . . 0.552 ' O ' HG23 ' C' ' 36' ' ' VAL . 86.0 mttt -74.73 -28.06 60.63 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.281 -0.418 . . . . 10.0 111.183 179.893 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 33' ' ' LEU . . . . . . . . . . . . . 32.2 tp -77.85 -47.57 18.49 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 111.752 0.279 . . . . 10.0 111.752 -179.163 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 34' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -60.35 -35.13 74.95 Favored 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 112.158 0.429 . . . . 10.0 112.158 -178.421 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 35' ' ' VAL . . . . . 0.863 HG11 ' HB2' ' A' ' 68' ' ' TRP . 33.8 m -72.77 -33.51 44.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 C-N-CA 120.946 -0.301 . . . . 10.0 111.512 -179.852 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 36' ' ' VAL . . . . . 0.552 HG23 ' O ' ' C' ' 32' ' ' LYS . 59.7 t -63.12 -40.64 89.79 Favored 'Isoleucine or valine' 0 C--O 1.233 0.2 0 N-CA-C 108.851 -0.796 . . . . 10.0 108.851 178.621 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 37' ' ' VAL . . . . . . . . . . . . . 44.9 t -67.93 -39.06 81.03 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 115.391 -0.822 . . . . 10.0 109.218 178.326 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 38' ' ' ASN . . . . . 0.602 ' O ' ' HB2' ' C' ' 41' ' ' ARG . 4.6 t-20 -63.57 -39.3 94.04 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.662 -0.699 . . . . 10.0 110.717 179.857 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 39' ' ' GLU . . . . . 0.531 ' OE1' ' HD3' ' B' ' 15' ' ' ARG . 37.8 mt-10 -66.66 -39.76 88.34 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.057 0.456 . . . . 10.0 110.058 179.159 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 40' ' ' ARG . . . . . . . . . . . . . 10.3 mmm180 -65.61 -25.63 67.47 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.998 -0.546 . . . . 10.0 109.567 178.615 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 41' ' ' ARG . . . . . 0.602 ' HB2' ' O ' ' C' ' 38' ' ' ASN . 5.2 mmm-85 -64.7 -60.55 2.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.191 -0.913 . . . . 10.0 110.58 179.7 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 42' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -59.49 -33.78 71.76 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.206 0.527 . . . . 10.0 110.312 179.76 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 43' ' ' GLU . . . . . . . . . . . . . 30.9 tt0 -62.0 -45.66 92.65 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.603 -0.726 . . . . 10.0 110.576 179.39 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 44' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.128 -0.487 . . . . 10.0 111.117 -179.557 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.525 ' HB2' ' CZ ' ' A' ' 11' ' ' TYR . 18.1 mt . . . . . 0 N--CA 1.479 0.997 0 CA-C-O 120.821 0.343 . . . . 10.0 110.315 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -68.77 155.23 40.54 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.944 -0.571 . . . . 10.0 111.116 179.799 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 24.9 tttt -58.36 -40.17 81.54 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.099 -0.5 . . . . 10.0 110.94 -179.902 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' THR . . . . . 0.4 ' O ' ' HG2' ' A' ' 13' ' ' MET . 0.0 OUTLIER -69.44 -28.29 65.99 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.916 -0.584 . . . . 10.0 111.618 179.624 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -64.14 -50.44 68.22 Favored 'General case' 0 N--CA 1.464 0.246 0 CA-C-O 121.044 0.449 . . . . 10.0 110.857 -179.606 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 11' ' ' TYR . . . . . 0.525 ' CZ ' ' HB2' ' A' ' 6' ' ' LEU . 46.6 m-85 -65.13 -35.72 81.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.801 -0.636 . . . . 10.0 109.862 179.642 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 60.9 tp -59.88 -42.72 94.4 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.798 -0.637 . . . . 10.0 110.752 179.471 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' MET . . . . . 0.4 ' HG2' ' O ' ' A' ' 9' ' ' THR . 84.2 mmm -67.57 -39.85 84.89 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.233 -0.439 . . . . 10.0 110.86 -179.889 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.33 -37.69 83.71 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.023 0.44 . . . . 10.0 110.52 179.591 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 97.8 mt -78.23 -15.72 58.52 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.306 -0.407 . . . . 10.0 111.257 -179.413 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' ARG . . . . . 0.507 ' HA ' ' NE ' ' A' ' 50' ' ' ARG . 55.3 mtt180 -77.1 -6.94 54.74 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.143 0.497 . . . . 10.0 110.318 179.243 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 17' ' ' ARG . . . . . 0.401 HH11 ' HD3' ' A' ' 17' ' ' ARG . 11.2 mmm-85 -84.41 -13.44 52.18 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.726 -0.67 . . . . 10.0 109.209 178.477 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 6.2 m -90.12 138.63 31.36 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.322 -0.854 . . . . 10.0 110.066 179.432 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 3.8 mm-40 -130.28 178.27 6.71 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.438 -0.347 . . . . 10.0 110.477 -179.435 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER 64.0 0.32 0.95 Allowed 'General case' 0 N--CA 1.47 0.54 0 N-CA-C 113.172 0.804 . . . . 10.0 113.172 178.671 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 68.3 mt 71.79 -43.54 0.13 Allowed 'Isoleucine or valine' 0 N--CA 1.471 0.588 0 C-N-CA 122.964 0.506 . . . . 10.0 111.414 -179.337 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 8.1 t70 -53.86 -47.86 70.59 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 111.858 0.318 . . . . 10.0 111.858 -179.821 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -59.45 -39.82 84.83 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.993 0.425 . . . . 10.0 110.347 179.562 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.529 ' O ' HG12 ' A' ' 28' ' ' ILE . 24.9 tp -66.65 -44.48 81.8 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.74 -0.664 . . . . 10.0 109.797 179.508 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 8.1 tp10 -56.79 -41.34 77.54 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.531 -0.758 . . . . 10.0 111.305 179.887 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 3.3 mtt180 -79.29 -38.11 36.17 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.946 -0.57 . . . . 10.0 112.257 -178.871 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.503 HG12 ' HA ' ' A' ' 24' ' ' LEU . 4.4 p -69.1 -34.91 66.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 N-CA-C 112.146 0.424 . . . . 10.0 112.146 -178.519 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.529 HG12 ' O ' ' A' ' 24' ' ' LEU . 45.8 pt -74.84 -25.81 19.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-O 121.052 0.453 . . . . 10.0 110.564 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 19.3 tp10 -79.17 -45.01 20.77 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.054 -0.521 . . . . 10.0 110.811 179.67 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 33.0 tttp -69.52 -44.46 70.95 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.301 -0.409 . . . . 10.0 111.547 -178.964 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' ASN . . . . . 0.409 ' O ' ' HG ' ' A' ' 35' ' ' LEU . 7.9 t30 -70.8 -12.25 61.44 Favored 'General case' 0 N--CA 1.464 0.241 0 CA-C-N 116.238 -0.437 . . . . 10.0 111.481 -178.737 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 38.6 ttmt -59.2 -46.05 89.47 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.196 -0.457 . . . . 10.0 111.725 -179.633 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -83.96 -8.18 59.23 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.272 -0.422 . . . . 10.0 111.299 -178.694 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 79.5 mt-10 -99.19 3.43 46.44 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 116.252 -0.431 . . . . 10.0 111.53 -179.151 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.409 ' HG ' ' O ' ' A' ' 31' ' ' ASN . 40.2 mt -92.3 171.2 9.22 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.012 -0.54 . . . . 10.0 110.312 178.933 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 36' ' ' SER . . . . . 0.412 ' O ' ' HB2' ' A' ' 37' ' ' ASP . 0.7 OUTLIER -93.21 1.2 57.18 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 116.334 -0.394 . . . . 10.0 110.39 -179.663 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 37' ' ' ASP . . . . . 0.412 ' HB2' ' O ' ' A' ' 36' ' ' SER . 97.2 m-20 73.9 -1.61 3.02 Favored 'General case' 0 C--O 1.252 1.213 0 C-N-CA 124.874 1.27 . . . . 0.0 111.049 179.11 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 27.3 t-20 -97.47 -39.9 8.94 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-O 121.458 0.647 . . . . 10.0 109.409 179.423 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -84.42 -5.66 59.3 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 114.873 -1.058 . . . . 10.0 109.941 179.598 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 48.8 tp -60.43 -28.87 68.61 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.616 -0.72 . . . . 10.0 110.577 179.619 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -62.1 -55.08 32.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.86 -0.609 . . . . 10.0 111.042 -179.864 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 11.8 m -73.96 -23.4 18.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.392 -0.367 . . . . 10.0 111.293 -179.598 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 52.3 t80 -64.99 -40.35 94.83 Favored 'General case' 0 C--O 1.235 0.316 0 CA-C-N 116.392 -0.367 . . . . 10.0 110.065 179.504 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 3.0 m-85 -61.81 -47.24 85.97 Favored 'General case' 0 CA--C 1.52 -0.211 0 CA-C-N 116.003 -0.544 . . . . 10.0 110.259 179.299 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 23.0 m -60.14 -38.05 81.92 Favored 'General case' 0 C--O 1.237 0.43 0 CA-C-N 115.816 -0.629 . . . . 10.0 111.634 179.867 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -67.49 -43.05 81.86 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.033 -0.531 . . . . 10.0 110.42 179.865 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -66.13 -44.85 83.04 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.928 -0.578 . . . . 10.0 110.377 179.337 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 48.7 m-20 -58.65 -42.69 88.96 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.683 -0.689 . . . . 10.0 110.155 179.287 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 5.1 t60 -63.35 -47.61 81.44 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.79 -0.641 . . . . 10.0 110.342 179.72 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 50' ' ' ARG . . . . . 0.507 ' NE ' ' HA ' ' A' ' 16' ' ' ARG . 30.5 tpt180 -62.85 -38.2 89.85 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.615 -0.72 . . . . 10.0 111.082 -179.458 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 32.3 tp -69.78 -42.28 74.0 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.519 -0.31 . . . . 10.0 110.782 -179.813 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 52' ' ' ALA . . . . . 0.493 ' HA ' HD11 ' A' ' 71' ' ' ILE . . . -59.83 -49.4 77.84 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 112.101 0.408 . . . . 10.0 112.101 -179.724 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 16.5 pt-20 -67.0 -33.38 75.44 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.71 0.29 . . . . 10.0 111.266 -179.376 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.419 HD12 ' HA ' ' A' ' 54' ' ' LEU . 8.1 tp -72.97 -35.62 66.96 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.964 0.411 . . . . 10.0 111.02 -179.585 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 48.2 m -66.08 -31.73 72.78 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.311 -0.404 . . . . 10.0 111.315 -179.611 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 79.2 mmm -98.24 -3.71 36.85 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.725 -0.216 . . . . 10.0 111.169 179.66 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 63.5 t30 57.99 44.07 20.17 Favored 'General case' 0 N--CA 1.464 0.257 0 CA-C-O 121.608 0.718 . . . . 10.0 110.628 -179.834 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 15.6 tptp -158.82 116.85 2.89 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.808 -0.633 . . . . 10.0 110.289 -179.818 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 5.4 mp -71.37 125.36 26.79 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.978 0.418 . . . . 10.0 110.642 -179.76 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 27.6 m-85 -130.16 139.34 50.88 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.74 -0.664 . . . . 10.0 110.598 -179.699 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 64.4 m-20 -70.19 -33.76 72.11 Favored 'General case' 0 C--N 1.331 -0.239 0 N-CA-C 109.35 -0.611 . . . . 10.0 109.35 178.99 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -114.45 157.55 22.76 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 108.689 -0.856 . . . . 10.0 108.689 178.443 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 47.6 mm -117.54 125.28 28.22 Favored Pre-proline 0 C--N 1.32 -0.703 0 C-N-CA 120.596 -0.442 . . . . 10.0 111.398 -179.237 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 19.6 Cg_exo -65.51 131.34 27.63 Favored 'Trans proline' 0 C--N 1.347 0.494 0 C-N-CA 122.588 2.192 . . . . 10.0 111.689 178.555 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -55.89 -31.74 63.1 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 112.669 0.618 . . . . 10.0 112.669 -179.038 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 96.3 p -84.31 0.58 48.56 Favored 'General case' 0 C--O 1.257 1.489 0 O-C-N 121.737 -0.602 . . . . 0.0 111.008 -177.216 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -90.74 -18.56 7.47 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.011 0 CA-C-N 119.545 1.066 . . . . 10.0 111.143 -179.005 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 68' ' ' TRP . . . . . 0.636 ' HB2' HG11 ' C' ' 35' ' ' VAL . 86.3 m95 -65.42 -18.32 65.23 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.931 0.396 . . . . 10.0 111.576 -179.049 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 12.4 tptp -68.48 -22.1 64.57 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.348 -0.387 . . . . 10.0 110.743 179.7 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 91.2 m-85 -88.43 -5.26 58.37 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.346 -0.388 . . . . 10.0 110.727 179.836 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 71' ' ' ILE . . . . . 0.493 HD11 ' HA ' ' A' ' 52' ' ' ALA . 1.6 mp -84.74 129.31 37.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-N 115.93 -0.577 . . . . 10.0 109.736 179.55 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 50.9 mtp180 . . . . . 0 C--O 1.248 1.019 0 CA-C-O 118.408 -0.806 . . . . 10.0 110.431 -179.597 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 CA--C 1.529 0.135 0 CA-C-O 120.794 0.33 . . . . 10.0 110.585 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . -62.78 -41.13 99.1 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.124 -0.489 . . . . 10.0 110.939 179.777 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 10.4 mp -71.61 -14.3 62.02 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.983 -0.553 . . . . 10.0 110.938 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 36.3 ttmt -79.73 -39.73 30.45 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.274 -0.421 . . . . 10.0 110.497 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 7' ' ' ILE . . . . . . . . . . . . . 31.6 pt -86.62 -21.48 7.38 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.185 0 CA-C-N 116.161 -0.472 . . . . 10.0 111.038 -179.52 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 1.2 tp -82.15 -6.77 59.44 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.168 -0.469 . . . . 10.0 110.674 -179.851 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 9' ' ' ASN . . . . . . . . . . . . . 55.3 t30 -73.82 -33.47 64.17 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.895 -0.593 . . . . 10.0 111.343 -179.468 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 10' ' ' ASN . . . . . . . . . . . . . 14.3 t-20 -99.83 140.77 33.56 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.223 0.535 . . . . 10.0 111.452 -179.321 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 74.5 mt -68.41 -33.82 62.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 115.601 -0.727 . . . . 10.0 112.387 -178.609 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 12' ' ' ARG . . . . . . . . . . . . . 97.6 mtt180 -65.68 -37.84 87.61 Favored 'General case' 0 N--CA 1.465 0.325 0 N-CA-C 111.756 0.28 . . . . 10.0 111.756 -178.671 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 13' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -76.28 -35.09 59.07 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 120.977 0.418 . . . . 10.0 110.534 179.456 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 24.2 tp -69.65 -41.45 75.55 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.697 -0.683 . . . . 10.0 111.187 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 15' ' ' ARG . . . . . 0.408 HH11 ' HD2' ' B' ' 15' ' ' ARG . 30.1 mtt180 -53.41 -40.43 65.12 Favored 'General case' 0 N--CA 1.467 0.41 0 CA-C-N 116.311 -0.404 . . . . 10.0 111.753 -179.768 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 16' ' ' ALA . . . . . . . . . . . . . . . -62.54 -51.9 65.55 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 112.493 0.553 . . . . 10.0 112.493 -178.686 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 17' ' ' GLN . . . . . 0.612 ' O ' ' HG2' ' B' ' 20' ' ' GLU . 0.0 OUTLIER -71.58 -19.63 62.11 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 121.456 0.646 . . . . 10.0 111.22 -179.271 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -74.63 -10.08 59.19 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.316 -0.402 . . . . 10.0 111.327 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 15.5 mmm180 -83.92 -18.09 38.52 Favored 'General case' 0 C--N 1.328 -0.334 0 C-N-CA 121.231 -0.188 . . . . 10.0 111.188 -179.736 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 20' ' ' GLU . . . . . 0.612 ' HG2' ' O ' ' B' ' 17' ' ' GLN . 10.7 pt-20 -95.27 -14.2 24.2 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.176 0.512 . . . . 10.0 110.704 179.707 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 21' ' ' CYS . . . . . . . . . . . . . 76.8 m -95.15 132.48 40.04 Favored 'General case' 0 CA--C 1.511 -0.53 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.949 178.144 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -63.63 153.34 36.28 Favored 'General case' 0 C--N 1.314 -0.943 0 O-C-N 123.853 0.721 . . . . 10.0 110.934 179.477 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 47.0 tp -55.45 -41.97 73.61 Favored 'General case' 0 N--CA 1.461 0.121 0 N-CA-C 109.733 -0.469 . . . . 10.0 109.733 179.498 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -55.63 -50.03 71.27 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 115.53 -0.759 . . . . 10.0 110.542 178.609 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -62.86 -42.59 99.81 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.635 -0.711 . . . . 10.0 111.604 -179.633 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 69.1 mt -61.24 -44.27 97.53 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.314 -0.403 . . . . 10.0 111.111 -179.579 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 27' ' ' GLU . . . . . 0.426 ' OE2' ' HD3' ' C' ' 41' ' ' ARG . 51.1 mt-10 -69.6 -40.63 76.56 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.036 0.446 . . . . 10.0 109.938 179.189 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 28' ' ' GLU . . . . . 0.526 ' O ' ' HG3' ' B' ' 32' ' ' LYS . 0.6 OUTLIER -60.78 -44.87 96.23 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.732 -0.667 . . . . 10.0 111.227 -179.784 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 29' ' ' MET . . . . . . . . . . . . . 5.5 ppp? -75.8 -28.27 58.28 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.603 -0.271 . . . . 10.0 111.218 -179.34 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 35.6 tp -58.13 -47.39 83.45 Favored 'General case' 0 C--O 1.233 0.193 0 CA-C-O 120.946 0.403 . . . . 10.0 110.457 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 23.7 mt-10 -64.72 -34.91 79.43 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.753 -0.658 . . . . 10.0 110.808 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 32' ' ' LYS . . . . . 0.526 ' HG3' ' O ' ' B' ' 28' ' ' GLU . 43.1 mttm -64.74 -44.61 89.57 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.063 -0.517 . . . . 10.0 110.974 -179.615 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 52.4 tp -70.41 -37.06 74.39 Favored 'General case' 0 C--N 1.324 -0.502 0 C-N-CA 120.585 -0.446 . . . . 10.0 109.989 179.22 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 8.9 tt0 -60.94 -47.54 85.97 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.905 -0.589 . . . . 10.0 111.416 -179.649 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 35' ' ' VAL . . . . . . . . . . . . . 27.4 m -63.21 -32.16 55.35 Favored 'Isoleucine or valine' 0 C--O 1.233 0.199 0 C-N-CA 120.892 -0.323 . . . . 10.0 111.732 -179.253 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 36' ' ' VAL . . . . . 0.525 HG23 ' O ' ' B' ' 32' ' ' LYS . 59.4 t -69.66 -41.48 80.17 Favored 'Isoleucine or valine' 0 C--O 1.233 0.193 0 N-CA-C 109.213 -0.662 . . . . 10.0 109.213 178.599 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 69.9 t -65.82 -38.96 83.41 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.227 0 N-CA-C 108.742 -0.836 . . . . 10.0 108.742 178.145 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 22.0 t30 -62.15 -43.47 98.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.447 -0.797 . . . . 10.0 109.757 178.276 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 39' ' ' GLU . . . . . 0.602 ' O ' ' HG3' ' B' ' 43' ' ' GLU . 18.2 mt-10 -59.16 -51.05 71.67 Favored 'General case' 0 N--CA 1.453 -0.317 0 CA-C-N 115.605 -0.725 . . . . 10.0 109.625 178.364 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 13.5 mmm-85 -60.69 -38.73 85.95 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 115.863 -0.608 . . . . 10.0 110.899 179.326 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 41' ' ' ARG . . . . . . . . . . . . . 91.8 mtt180 -57.42 -47.04 82.8 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.22 -0.446 . . . . 10.0 110.076 179.048 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 5.6 tp10 -60.8 -45.41 94.52 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.882 -0.599 . . . . 10.0 110.954 -179.924 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 43' ' ' GLU . . . . . 0.602 ' HG3' ' O ' ' B' ' 39' ' ' GLU . 19.2 mt-10 -65.02 -36.01 83.0 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.411 -0.359 . . . . 10.0 110.664 -179.877 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -67.05 -38.79 86.47 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.13 -0.486 . . . . 10.0 111.076 -179.91 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 45' ' ' SER . . . . . . . . . . . . . 2.5 p -81.33 -24.38 37.17 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 111.712 0.264 . . . . 10.0 111.712 179.885 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.327 -0.376 0 CA-C-O 120.815 0.34 . . . . 10.0 111.353 -179.491 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' C' C ' 3' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 . . . . . 0 C--O 1.233 0.203 0 N-CA-C 112.112 0.412 . . . . 10.0 112.112 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' C' C ' 4' ' ' ALA . . . . . . . . . . . . . . . -57.53 -45.75 84.68 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.892 -0.595 . . . . 10.0 112.341 -178.932 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 5' ' ' LEU . . . . . 0.424 ' HA ' HD13 ' C' ' 8' ' ' LEU . 3.2 mm? -80.97 -15.56 55.88 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 112.233 0.457 . . . . 10.0 112.233 -178.568 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 6' ' ' LYS . . . . . . . . . . . . . 84.1 tttt -70.48 -34.58 72.54 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 111.898 0.333 . . . . 10.0 111.898 -178.986 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 7' ' ' ILE . . . . . . . . . . . . . 49.6 pt -73.31 -6.87 8.84 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 C-N-CA 121.043 -0.263 . . . . 10.0 111.447 -179.174 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 8' ' ' LEU . . . . . 0.424 HD13 ' HA ' ' C' ' 5' ' ' LEU . 2.6 mp -88.67 -7.26 56.64 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.881 0.372 . . . . 10.0 110.531 179.785 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 9' ' ' ASN . . . . . . . . . . . . . 23.4 t-20 -79.17 -30.44 43.49 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.103 -0.499 . . . . 10.0 110.062 179.702 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 10' ' ' ASN . . . . . 0.441 HD21 ' HB2' ' C' ' 12' ' ' ARG . 29.2 t30 -90.25 117.66 29.16 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.568 -0.742 . . . . 10.0 109.341 179.156 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 11' ' ' ILE . . . . . . . . . . . . . 8.4 tp -62.97 -25.6 38.93 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 116.291 -0.413 . . . . 10.0 111.651 -178.877 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 12' ' ' ARG . . . . . 0.441 ' HB2' HD21 ' C' ' 10' ' ' ASN . 33.9 mmt180 -65.53 -45.69 82.47 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.584 0.23 . . . . 10.0 110.746 -179.671 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 13' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -75.35 -38.25 60.2 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.843 0.354 . . . . 10.0 110.484 179.759 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 14' ' ' LEU . . . . . . . . . . . . . 34.1 tp -62.2 -47.69 83.32 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.823 -0.626 . . . . 10.0 110.735 179.863 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 15' ' ' ARG . . . . . . . . . . . . . 30.1 ttm105 -63.61 -30.22 71.36 Favored 'General case' 0 C--O 1.235 0.29 0 CA-C-N 116.139 -0.482 . . . . 10.0 111.026 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 16' ' ' ALA . . . . . . . . . . . . . . . -80.98 -40.68 23.99 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.349 -0.387 . . . . 10.0 111.043 -179.786 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 17' ' ' GLN . . . . . 0.434 ' O ' ' HB2' ' C' ' 20' ' ' GLU . 4.0 tp60 -67.24 -30.59 70.54 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.003 -0.544 . . . . 10.0 110.517 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 18' ' ' ALA . . . . . . . . . . . . . . . -66.85 -18.23 65.27 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.396 -0.365 . . . . 10.0 111.742 -179.776 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 19' ' ' ARG . . . . . . . . . . . . . 89.2 mtt-85 -78.6 -5.6 53.29 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 120.836 0.351 . . . . 10.0 110.797 -179.807 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 20' ' ' GLU . . . . . 0.434 ' HB2' ' O ' ' C' ' 17' ' ' GLN . 0.4 OUTLIER -76.5 -22.67 54.15 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.068 -0.514 . . . . 10.0 111.485 -179.622 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' C' C ' 21' ' ' CYS . . . . . . . . . . . . . 73.2 m -131.24 166.66 20.68 Favored 'General case' 0 CA--C 1.511 -0.554 0 CA-C-O 122.276 1.036 . . . . 0.0 111.006 -179.472 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 22' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -78.12 160.75 27.86 Favored 'General case' 0 C--O 1.239 0.533 0 CA-C-N 114.58 -1.191 . . . . 10.0 111.048 179.111 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 53.2 tp -56.32 -37.25 69.67 Favored 'General case' 0 C--O 1.225 -0.226 0 O-C-N 123.26 0.35 . . . . 10.0 111.471 -179.369 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 24' ' ' GLU . . . . . . . . . . . . . 7.3 tt0 -52.84 -51.73 59.83 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.978 0.418 . . . . 10.0 110.457 179.538 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 25' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -66.6 -41.38 88.54 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.862 -0.608 . . . . 10.0 111.201 179.409 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 26' ' ' LEU . . . . . . . . . . . . . 87.0 mt -61.58 -45.74 92.84 Favored 'General case' 0 N--CA 1.465 0.289 0 CA-C-O 120.949 0.404 . . . . 10.0 111.132 -179.665 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 27' ' ' GLU . . . . . 0.455 ' O ' ' HG3' ' C' ' 31' ' ' GLU . 21.3 tt0 -68.87 -41.31 78.58 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 116.377 -0.374 . . . . 10.0 110.369 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 28' ' ' GLU . . . . . 0.54 ' O ' ' HG2' ' C' ' 32' ' ' LYS . 33.3 tt0 -58.37 -47.18 84.65 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.061 -0.518 . . . . 10.0 110.891 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 29' ' ' MET . . . . . . . . . . . . . 21.9 ptp -70.91 -27.36 63.73 Favored 'General case' 0 C--N 1.332 -0.187 0 C-N-CA 120.993 -0.283 . . . . 10.0 110.963 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 30' ' ' LEU . . . . . . . . . . . . . 23.5 tp -66.0 -40.37 91.08 Favored 'General case' 0 C--N 1.332 -0.169 0 N-CA-C 109.696 -0.483 . . . . 10.0 109.696 179.015 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 31' ' ' GLU . . . . . 0.455 ' HG3' ' O ' ' C' ' 27' ' ' GLU . 46.4 mt-10 -63.45 -27.18 69.11 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.631 -0.713 . . . . 10.0 110.675 179.52 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 32' ' ' LYS . . . . . 0.54 ' HG2' ' O ' ' C' ' 28' ' ' GLU . 23.3 mmtp -77.16 -32.86 56.54 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.933 -0.576 . . . . 10.0 110.094 179.725 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 33' ' ' LEU . . . . . . . . . . . . . 18.4 tp -76.62 -43.88 36.51 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.865 -0.607 . . . . 10.0 112.176 -178.718 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 34' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -59.93 -40.56 89.34 Favored 'General case' 0 C--N 1.33 -0.271 0 N-CA-C 112.276 0.473 . . . . 10.0 112.276 -178.171 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 35' ' ' VAL . . . . . 0.636 HG11 ' HB2' ' A' ' 68' ' ' TRP . 19.2 m -70.14 -27.99 34.34 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.2 0 C-N-CA 120.639 -0.424 . . . . 10.0 111.063 -179.872 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 36' ' ' VAL . . . . . . . . . . . . . 19.5 t -67.62 -41.2 85.38 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 N-CA-C 109.187 -0.671 . . . . 10.0 109.187 178.662 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 37' ' ' VAL . . . . . . . . . . . . . 79.1 t -64.05 -35.59 74.11 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.36 0 CA-C-N 115.739 -0.664 . . . . 10.0 109.471 178.486 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 38' ' ' ASN . . . . . . . . . . . . . 1.6 t30 -59.66 -48.64 80.88 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 115.967 -0.561 . . . . 10.0 110.235 179.826 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 39' ' ' GLU . . . . . . . . . . . . . 17.0 mt-10 -58.89 -44.84 91.26 Favored 'General case' 0 C--O 1.233 0.218 0 CA-C-N 116.019 -0.537 . . . . 10.0 110.366 179.496 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 40' ' ' ARG . . . . . 0.456 ' HA ' HH11 ' C' ' 40' ' ' ARG . 7.5 mmm180 -60.86 -38.28 85.04 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.655 -0.702 . . . . 10.0 110.3 179.825 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 41' ' ' ARG . . . . . 0.426 ' HD3' ' OE2' ' B' ' 27' ' ' GLU . 11.3 mmm180 -64.65 -44.31 90.87 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.854 -0.612 . . . . 10.0 110.041 179.128 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 42' ' ' GLU . . . . . . . . . . . . . 54.6 mt-10 -57.75 -42.94 85.01 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.664 -0.698 . . . . 10.0 111.055 -179.794 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 43' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -61.76 -53.03 61.57 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.302 0.573 . . . . 10.0 111.738 -179.845 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 44' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.323 -0.573 0 CA-C-N 115.752 -0.658 . . . . 10.0 112.394 -178.225 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 12.0 tp . . . . . 0 N--CA 1.475 0.823 0 N-CA-C 109.716 -0.475 . . . . 10.0 109.716 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -103.61 171.84 7.14 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.095 0.474 . . . . 10.0 111.589 -179.073 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 43.6 mttt -67.71 -37.2 81.92 Favored 'General case' 0 C--O 1.224 -0.249 0 CA-C-N 115.665 -0.698 . . . . 10.0 110.304 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -59.69 -35.07 73.75 Favored 'General case' 0 C--O 1.236 0.384 0 CA-C-N 115.855 -0.611 . . . . 10.0 112.319 -178.958 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 28.0 m-20 -65.56 -32.4 73.96 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.02 -0.536 . . . . 10.0 110.279 -179.773 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 55.4 m-85 -88.76 -31.4 18.42 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.123 -0.489 . . . . 10.0 109.907 179.15 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 67.3 tp -58.63 -49.54 77.14 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.712 -0.676 . . . . 10.0 110.909 -179.918 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 78.0 mmm -62.19 -23.55 66.68 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.951 0.405 . . . . 10.0 111.102 -179.357 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.71 -38.97 32.26 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.125 -0.489 . . . . 10.0 109.961 179.389 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 74.9 mt -82.14 -18.56 42.45 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.77 -0.65 . . . . 10.0 111.187 -179.538 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' ARG . . . . . 0.466 ' HA ' ' CZ ' ' A' ' 50' ' ' ARG . 27.0 mtt180 -69.69 -11.7 61.05 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.328 -0.397 . . . . 10.0 110.984 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 80.8 mtm-85 -87.87 -6.16 58.23 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.274 -0.421 . . . . 10.0 110.186 178.84 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 39.5 m -98.54 132.71 43.74 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.998 -0.546 . . . . 10.0 109.928 179.152 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -127.92 -175.37 3.46 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.457 -0.338 . . . . 10.0 110.909 -179.331 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 1.2 m 70.68 -2.3 2.3 Favored 'General case' 0 CA--C 1.534 0.349 0 C-N-CA 123.353 0.661 . . . . 10.0 112.552 178.499 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 84.1 mt 72.23 -55.59 0.28 Allowed 'Isoleucine or valine' 0 N--CA 1.472 0.668 0 C-N-CA 122.962 0.505 . . . . 10.0 111.468 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 32.2 t70 -56.41 -41.91 77.11 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.211 -0.449 . . . . 10.0 111.203 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 8.1 m -60.99 -34.9 75.52 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.182 0.515 . . . . 10.0 110.218 179.058 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.406 ' O ' HG12 ' A' ' 27' ' ' VAL . 20.4 tp -70.76 -36.31 73.05 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.612 -0.722 . . . . 10.0 109.897 179.369 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 2.1 tp10 -66.89 -31.09 71.46 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.148 0.499 . . . . 10.0 110.242 179.865 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 58.3 mtt180 -73.91 -41.46 62.07 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.795 -0.639 . . . . 10.0 111.318 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.438 ' O ' ' HB2' ' A' ' 31' ' ' ASN . 13.0 p -68.84 -42.39 82.63 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.333 0 CA-C-N 116.644 -0.253 . . . . 10.0 111.632 -178.921 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 46.2 pt -68.08 -30.95 49.79 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 O-C-N 122.161 -0.337 . . . . 10.0 111.18 -179.487 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 9.6 tp10 -67.81 -54.19 21.09 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.276 -0.42 . . . . 10.0 110.264 179.645 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 29.1 tttp -64.96 -32.34 74.02 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.099 -0.501 . . . . 10.0 111.029 -179.795 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' ASN . . . . . 0.438 ' HB2' ' O ' ' A' ' 27' ' ' VAL . 0.7 OUTLIER -66.86 -34.56 78.07 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.974 -0.557 . . . . 10.0 111.623 -179.532 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 3.6 mtmp? -61.21 -32.88 72.65 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 112.061 0.393 . . . . 10.0 112.061 -178.855 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 10.0 m-85 -82.02 -3.84 55.42 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.801 0.334 . . . . 10.0 111.046 -179.217 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 4.9 tt0 -112.32 -14.99 13.25 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 121.012 0.434 . . . . 10.0 110.963 -179.324 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 61.9 mt -79.01 163.69 24.99 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.216 -0.447 . . . . 10.0 110.572 -179.777 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' SER . . . . . 0.513 ' O ' ' HB2' ' A' ' 37' ' ' ASP . 0.7 OUTLIER -95.94 -1.68 48.66 Favored 'General case' 0 C--N 1.321 -0.645 0 N-CA-C 109.537 -0.542 . . . . 10.0 109.537 179.789 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 37' ' ' ASP . . . . . 0.513 ' HB2' ' O ' ' A' ' 36' ' ' SER . 97.1 m-20 80.57 -10.37 1.26 Allowed 'General case' 0 C--O 1.248 1.016 0 C-N-CA 125.044 1.338 . . . . 0.0 111.012 178.943 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 38' ' ' ASN . . . . . 0.436 ' OD1' ' HB2' ' A' ' 36' ' ' SER . 2.3 p-10 -85.88 -29.31 23.78 Favored 'General case' 0 C--N 1.332 -0.18 0 O-C-N 120.917 -1.114 . . . . 10.0 109.777 178.377 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -89.5 -5.53 57.21 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.671 -0.695 . . . . 10.0 109.639 179.634 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 21.2 tp -64.1 -23.03 67.17 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.406 -0.815 . . . . 10.0 110.924 -179.649 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -64.13 -49.61 71.46 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.234 -0.439 . . . . 10.0 111.138 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 2.8 m -80.19 -22.93 11.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.406 -0.361 . . . . 10.0 111.128 -179.806 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 53.8 t80 -72.5 -37.0 68.53 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.028 -0.533 . . . . 10.0 110.203 179.66 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -58.77 -51.73 68.75 Favored 'General case' 0 CA--C 1.52 -0.183 0 CA-C-N 116.298 -0.41 . . . . 10.0 110.867 179.813 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 13.0 m -59.87 -35.99 75.96 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.414 -0.357 . . . . 10.0 111.102 179.687 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -65.26 -46.73 79.32 Favored 'General case' 0 C--O 1.234 0.283 0 CA-C-N 116.308 -0.405 . . . . 10.0 110.266 179.321 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -66.39 -43.01 87.05 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.186 -0.461 . . . . 10.0 110.097 179.215 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -58.8 -46.71 86.96 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.769 -0.65 . . . . 10.0 110.121 179.469 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 5.9 t60 -63.34 -46.05 88.41 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.713 -0.676 . . . . 10.0 110.352 179.451 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 50' ' ' ARG . . . . . 0.466 ' CZ ' ' HA ' ' A' ' 16' ' ' ARG . 31.0 tpt180 -64.72 -39.85 94.35 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.969 -0.559 . . . . 10.0 111.462 -179.209 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 36.7 tp -61.83 -42.22 98.76 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.62 0.248 . . . . 10.0 110.626 -179.751 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 52' ' ' ALA . . . . . 0.603 ' HA ' HD11 ' A' ' 71' ' ' ILE . . . -60.03 -49.33 78.09 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.236 -0.438 . . . . 10.0 111.914 -179.745 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -74.44 -29.73 61.6 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.486 -0.324 . . . . 10.0 111.662 -178.96 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 15.8 tp -73.51 -40.81 63.77 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 120.504 0.192 . . . . 10.0 111.398 -179.335 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 23.6 m -64.31 -34.45 78.16 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.974 0.416 . . . . 10.0 110.592 179.735 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 88.2 mmm -84.98 -12.9 52.24 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.918 -0.583 . . . . 10.0 110.351 179.165 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 49.7 t30 62.21 38.03 13.8 Favored 'General case' 0 C--O 1.233 0.199 0 CA-C-N 115.491 -0.777 . . . . 10.0 110.88 -179.521 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 22.6 tptp -150.88 121.1 7.25 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.758 -0.655 . . . . 10.0 109.744 -179.911 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 6.3 mp -66.14 127.13 30.92 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 120.944 0.402 . . . . 10.0 110.953 -179.824 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 38.0 m-85 -127.43 128.2 45.38 Favored 'General case' 0 C--O 1.238 0.462 0 CA-C-N 116.007 -0.542 . . . . 10.0 111.438 -179.576 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -65.97 -46.0 79.66 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 108.336 -0.987 . . . . 10.0 108.336 177.489 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 34.3 pttt -114.93 151.45 34.03 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 114.797 -1.092 . . . . 10.0 108.485 178.153 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 27.8 mm -110.68 127.18 27.38 Favored Pre-proline 0 C--N 1.321 -0.641 0 N-CA-C 112.187 0.44 . . . . 10.0 112.187 -178.134 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 64' ' ' PRO . . . . . 0.446 ' O ' HG12 ' A' ' 67' ' ' VAL . 49.5 Cg_endo -74.23 137.03 22.99 Favored 'Trans proline' 0 C--N 1.345 0.367 0 C-N-CA 122.41 2.073 . . . . 10.0 111.518 178.047 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 65' ' ' SER . . . . . 0.494 ' HA ' ' CD1' ' A' ' 68' ' ' TRP . 0.9 OUTLIER -61.1 -24.54 66.31 Favored 'General case' 0 C--N 1.321 -0.652 0 N-CA-C 113.335 0.865 . . . . 10.0 113.335 -178.41 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 95.7 p -76.71 -5.41 47.93 Favored 'General case' 0 C--O 1.258 1.512 0 O-C-N 121.375 -0.828 . . . . 0.0 111.003 -177.864 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.446 HG12 ' O ' ' A' ' 64' ' ' PRO . 1.9 p -97.85 -17.88 6.57 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.348 0 CA-C-N 119.876 1.216 . . . . 10.0 112.32 -177.651 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 68' ' ' TRP . . . . . 0.562 ' HB2' HG11 ' C' ' 35' ' ' VAL . 76.0 m95 -64.15 -24.12 67.57 Favored 'General case' 0 N--CA 1.463 0.213 0 CA-C-O 120.86 0.362 . . . . 10.0 111.586 -179.101 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 21.5 tptp -65.98 -25.88 67.3 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.21 -0.45 . . . . 10.0 111.862 -178.918 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 89.3 m-85 -93.61 0.98 56.79 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.756 0.312 . . . . 10.0 111.637 -178.914 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 71' ' ' ILE . . . . . 0.603 HD11 ' HA ' ' A' ' 52' ' ' ALA . 1.4 mp -87.88 138.1 19.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-O 121.0 0.428 . . . . 10.0 110.781 -179.47 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 31.9 mtp-105 . . . . . 0 C--O 1.249 1.041 0 CA-C-O 118.127 -0.94 . . . . 10.0 109.906 179.68 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.451 -0.395 0 N-CA-C 109.565 -0.532 . . . . 10.0 109.565 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . -67.03 -45.16 78.33 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.603 -0.726 . . . . 10.0 110.861 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 5' ' ' LEU . . . . . 0.7 ' CD2' ' SG ' ' C' ' 21' ' ' CYS . 7.0 mp -78.33 0.9 23.68 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.296 -0.411 . . . . 10.0 111.289 -179.787 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 35.3 ttpt -92.88 -48.48 6.52 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.072 -0.513 . . . . 10.0 109.812 179.062 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 7' ' ' ILE . . . . . . . . . . . . . 1.1 pt -73.9 -18.93 17.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-N 115.831 -0.622 . . . . 10.0 111.094 -179.858 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 1.4 mp -74.39 -19.0 60.59 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.917 -0.583 . . . . 10.0 111.863 -179.522 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 9' ' ' ASN . . . . . . . . . . . . . 13.1 t-20 -86.26 -17.65 34.13 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.857 0.36 . . . . 10.0 110.945 -179.371 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 10' ' ' ASN . . . . . 0.504 ' OD1' ' HB2' ' B' ' 12' ' ' ARG . 12.8 t-20 -99.28 123.21 43.38 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-O 120.917 0.389 . . . . 10.0 110.472 -179.717 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 81.7 mt -58.0 -37.23 60.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 CA-C-N 115.734 -0.666 . . . . 10.0 112.085 -179.295 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 12' ' ' ARG . . . . . 0.504 ' HB2' ' OD1' ' B' ' 10' ' ' ASN . 99.7 mtt180 -61.17 -53.45 56.77 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 111.862 0.319 . . . . 10.0 111.862 -178.952 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 13' ' ' THR . . . . . 0.45 ' OG1' ' HB3' ' B' ' 10' ' ' ASN . 0.6 OUTLIER -67.58 -35.41 78.96 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 120.783 0.325 . . . . 10.0 111.2 -179.72 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' B' B ' 14' ' ' LEU . . . . . 0.401 HD12 ' HA ' ' B' ' 14' ' ' LEU . 12.8 tp -66.53 -38.39 87.08 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.283 -0.417 . . . . 10.0 110.83 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 15' ' ' ARG . . . . . 0.409 ' O ' ' HG2' ' B' ' 19' ' ' ARG . 19.9 mtt85 -59.73 -46.24 89.73 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.368 -0.378 . . . . 10.0 110.542 179.525 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 16' ' ' ALA . . . . . . . . . . . . . . . -70.14 -34.45 73.06 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.085 -0.507 . . . . 10.0 110.76 -179.728 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 17' ' ' GLN . . . . . . . . . . . . . 24.5 tp60 -67.61 -40.83 84.7 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.777 -0.647 . . . . 10.0 110.819 179.808 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -75.43 6.69 4.29 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 112.219 0.451 . . . . 10.0 112.219 -179.316 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 19' ' ' ARG . . . . . 0.409 ' HG2' ' O ' ' B' ' 15' ' ' ARG . 30.5 mmt180 -94.44 -8.44 38.56 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 122.322 -0.236 . . . . 10.0 110.918 179.609 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 2.9 pt-20 -88.17 -18.33 28.96 Favored 'General case' 0 N--CA 1.463 0.206 0 CA-C-O 120.913 0.387 . . . . 10.0 110.768 -179.774 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 21' ' ' CYS . . . . . 0.998 ' SG ' HD21 ' B' ' 26' ' ' LEU . 32.0 p -120.86 159.56 25.26 Favored 'General case' 0 CA--C 1.51 -0.574 0 CA-C-O 121.33 0.586 . . . . 0.0 111.013 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -85.55 170.77 12.28 Favored 'General case' 0 N--CA 1.452 -0.35 0 CA-C-N 115.558 -0.746 . . . . 10.0 110.697 179.153 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 52.3 tp -63.67 -31.79 73.07 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.657 -0.247 . . . . 10.0 111.116 -179.275 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 4.2 tp10 -52.27 -49.51 63.97 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.034 0.445 . . . . 10.0 110.832 179.631 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -73.19 -39.34 65.67 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.884 -0.598 . . . . 10.0 111.314 -179.947 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 26' ' ' LEU . . . . . 0.998 HD21 ' SG ' ' B' ' 21' ' ' CYS . 89.9 mt -65.14 -47.54 76.72 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.2 -0.455 . . . . 10.0 111.928 -179.295 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 27' ' ' GLU . . . . . 0.561 ' OE1' ' HD3' ' C' ' 41' ' ' ARG . 1.8 tp10 -63.15 -36.37 83.38 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.044 0.45 . . . . 10.0 110.929 -179.8 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 13.4 tt0 -70.64 -45.61 64.84 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.365 -0.38 . . . . 10.0 111.046 -179.846 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 29' ' ' MET . . . . . 0.534 ' HG3' ' O ' ' B' ' 26' ' ' LEU . 5.3 ppp? -66.91 -26.42 66.86 Favored 'General case' 0 CA--C 1.52 -0.183 0 N-CA-C 110.272 -0.269 . . . . 10.0 110.272 179.916 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 19.7 tp -59.2 -49.06 79.28 Favored 'General case' 0 N--CA 1.455 -0.189 0 N-CA-C 109.32 -0.622 . . . . 10.0 109.32 178.825 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 59.3 mt-10 -62.82 -45.73 91.24 Favored 'General case' 0 CA--C 1.52 -0.207 0 CA-C-N 115.631 -0.713 . . . . 10.0 110.297 179.2 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 32' ' ' LYS . . . . . 0.442 ' O ' HG23 ' B' ' 36' ' ' VAL . 81.2 mttt -59.27 -41.31 88.54 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.553 -0.749 . . . . 10.0 111.887 -179.077 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 33' ' ' LEU . . . . . 0.694 HD23 HD22 ' C' ' 33' ' ' LEU . 25.9 tp -78.36 -35.11 47.86 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 120.877 0.37 . . . . 10.0 110.75 179.722 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 16.0 tt0 -63.65 -44.18 94.57 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.106 -0.497 . . . . 10.0 110.915 -179.736 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 35' ' ' VAL . . . . . 0.407 ' O ' ' HG3' ' B' ' 39' ' ' GLU . 30.0 m -64.69 -29.9 48.7 Favored 'Isoleucine or valine' 0 C--N 1.334 -0.098 0 C-N-CA 120.721 -0.392 . . . . 10.0 110.526 179.892 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 36' ' ' VAL . . . . . 0.442 HG23 ' O ' ' B' ' 32' ' ' LYS . 46.4 t -65.79 -45.78 90.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 N-CA-C 109.343 -0.614 . . . . 10.0 109.343 178.547 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 37' ' ' VAL . . . . . 0.419 HG23 ' O ' ' B' ' 33' ' ' LEU . 48.1 t -63.47 -35.89 74.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 115.765 -0.652 . . . . 10.0 109.338 178.88 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 5.4 t-20 -63.95 -44.85 91.59 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.496 -0.774 . . . . 10.0 109.896 179.017 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 39' ' ' GLU . . . . . 0.456 ' O ' ' HG3' ' B' ' 43' ' ' GLU . 95.6 mt-10 -61.84 -47.3 85.69 Favored 'General case' 0 C--O 1.234 0.241 0 CA-C-N 116.016 -0.538 . . . . 10.0 109.644 178.741 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -59.65 -41.04 89.66 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 115.544 -0.753 . . . . 10.0 110.588 179.626 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 41' ' ' ARG . . . . . 0.401 HH21 ' CD ' ' C' ' 27' ' ' GLU . 38.9 mtt180 -64.82 -36.72 85.24 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.204 -0.453 . . . . 10.0 110.26 179.241 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 34.4 tt0 -64.43 -44.67 90.46 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.171 -0.468 . . . . 10.0 109.831 179.117 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 43' ' ' GLU . . . . . 0.456 ' HG3' ' O ' ' B' ' 39' ' ' GLU . 42.6 mt-10 -55.5 -51.45 66.97 Favored 'General case' 0 N--CA 1.463 0.186 0 CA-C-N 115.855 -0.611 . . . . 10.0 110.632 179.419 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -66.85 -34.7 78.38 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.466 -0.788 . . . . 10.0 111.955 -178.924 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 45' ' ' SER . . . . . . . . . . . . . 44.9 m -72.9 -25.18 60.97 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.881 0.372 . . . . 10.0 111.262 -179.719 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.43 0 CA-C-N 116.315 -0.402 . . . . 10.0 111.54 -179.461 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' C' C ' 3' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 . . . . . 0 N--CA 1.452 -0.352 0 CA-C-O 121.049 0.452 . . . . 10.0 110.585 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' C' C ' 4' ' ' ALA . . . . . . . . . . . . . . . -96.12 -29.07 14.29 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.977 -0.556 . . . . 10.0 111.28 -179.369 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 5' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -78.29 -1.81 34.89 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.023 -0.535 . . . . 10.0 112.181 -178.864 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 6' ' ' LYS . . . . . . . . . . . . . 27.0 tptt -75.42 -39.22 59.18 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.636 0.255 . . . . 10.0 111.619 -179.217 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 7' ' ' ILE . . . . . 0.415 ' H ' HG13 ' C' ' 7' ' ' ILE . 1.4 pp -72.49 -20.14 19.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 N-CA-C 112.392 0.516 . . . . 10.0 112.392 -178.96 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 8' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -79.74 -6.56 57.48 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 121.265 0.555 . . . . 10.0 110.642 179.901 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 9' ' ' ASN . . . . . . . . . . . . . 28.5 t-20 -84.42 -27.65 27.43 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.947 -0.57 . . . . 10.0 110.509 179.857 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 10' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -99.12 121.61 41.24 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.826 -0.625 . . . . 10.0 110.347 -179.215 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 11' ' ' ILE . . . . . . . . . . . . . 10.3 tp -62.83 -26.01 39.77 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.4 0 CA-C-N 116.462 -0.336 . . . . 10.0 111.647 -179.431 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 12' ' ' ARG . . . . . . . . . . . . . 9.3 mmt180 -62.1 -56.06 22.65 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 121.048 0.451 . . . . 10.0 110.921 -179.612 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 13' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -69.55 -39.64 77.31 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.968 -0.56 . . . . 10.0 110.799 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 14' ' ' LEU . . . . . . . . . . . . . 13.2 tp -54.73 -53.55 53.49 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.463 -0.79 . . . . 10.0 112.075 -179.106 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 15' ' ' ARG . . . . . . . . . . . . . 34.8 ttm180 -65.43 -36.01 82.65 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.632 0.254 . . . . 10.0 111.266 -179.611 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 16' ' ' ALA . . . . . . . . . . . . . . . -66.55 -39.2 88.43 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.304 -0.407 . . . . 10.0 111.846 -179.396 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 17' ' ' GLN . . . . . . . . . . . . . 45.3 mt-30 -83.26 -31.19 27.08 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.556 -0.293 . . . . 10.0 111.346 -179.613 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 18' ' ' ALA . . . . . . . . . . . . . . . -69.65 -24.68 63.65 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.683 0.277 . . . . 10.0 111.364 -179.776 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 19' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -72.19 -12.21 61.08 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.784 0.326 . . . . 10.0 111.27 -179.777 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 20' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -82.22 -30.41 30.82 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 120.964 0.412 . . . . 10.0 110.47 -179.736 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 21' ' ' CYS . . . . . 0.7 ' SG ' ' CD2' ' B' ' 5' ' ' LEU . 74.6 m -94.61 151.34 19.4 Favored 'General case' 0 CA--C 1.511 -0.54 0 CA-C-N 115.815 -0.629 . . . . 0.0 110.914 179.931 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 22' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -72.53 154.54 40.77 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.62 -0.718 . . . . 10.0 110.945 178.339 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 37.9 tp -58.39 -31.73 67.94 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.343 -0.389 . . . . 10.0 111.054 179.707 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 24' ' ' GLU . . . . . . . . . . . . . 14.2 tt0 -58.8 -49.93 75.86 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.175 -0.466 . . . . 10.0 110.954 179.694 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 25' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -64.49 -35.25 80.34 Favored 'General case' 0 N--CA 1.45 -0.454 0 CA-C-N 116.35 -0.386 . . . . 10.0 110.865 179.872 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 26' ' ' LEU . . . . . . . . . . . . . 95.6 mt -64.68 -48.33 75.12 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.993 -0.549 . . . . 10.0 110.422 179.547 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 27' ' ' GLU . . . . . 0.401 ' CD ' HH21 ' B' ' 41' ' ' ARG . 59.0 mt-10 -66.66 -37.12 84.14 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.265 -0.425 . . . . 10.0 110.916 179.92 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 28' ' ' GLU . . . . . . . . . . . . . 15.0 tt0 -61.51 -47.24 86.52 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.055 -0.521 . . . . 10.0 110.864 -179.922 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 29' ' ' MET . . . . . . . . . . . . . 21.0 ptp -76.78 -25.12 53.01 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.442 -0.345 . . . . 10.0 111.227 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 30' ' ' LEU . . . . . . . . . . . . . 26.3 tp -62.87 -38.26 90.17 Favored 'General case' 0 C--O 1.232 0.153 0 CA-C-O 120.803 0.335 . . . . 10.0 110.196 179.721 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 31' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -62.86 -34.65 77.81 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.794 -0.639 . . . . 10.0 110.431 179.586 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 32' ' ' LYS . . . . . . . . . . . . . 22.2 mmtp -75.65 -37.11 59.93 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.888 -0.596 . . . . 10.0 109.564 179.48 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 33' ' ' LEU . . . . . 0.694 HD22 HD23 ' B' ' 33' ' ' LEU . 15.8 tp -65.82 -49.44 68.22 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.495 -0.775 . . . . 10.0 111.56 -179.578 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 34' ' ' GLU . . . . . . . . . . . . . 14.8 pt-20 -58.87 -42.44 89.41 Favored 'General case' 0 C--N 1.33 -0.245 0 N-CA-C 111.84 0.311 . . . . 10.0 111.84 -178.726 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 35' ' ' VAL . . . . . 0.562 HG11 ' HB2' ' A' ' 68' ' ' TRP . 33.8 m -72.28 -36.57 56.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 C-N-CA 120.411 -0.516 . . . . 10.0 111.223 -179.679 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 36' ' ' VAL . . . . . . . . . . . . . 11.8 t -67.15 -45.89 85.53 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.336 0 CA-C-O 120.998 0.428 . . . . 10.0 110.334 179.675 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 37' ' ' VAL . . . . . . . . . . . . . 60.7 t -62.72 -36.25 74.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.166 -0.47 . . . . 10.0 109.77 178.646 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 38' ' ' ASN . . . . . 0.668 ' O ' ' HG3' ' C' ' 42' ' ' GLU . 23.9 t-20 -63.64 -36.42 83.77 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.912 -0.586 . . . . 10.0 110.393 179.307 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 39' ' ' GLU . . . . . 0.483 ' O ' ' HG3' ' C' ' 43' ' ' GLU . 3.6 mt-10 -61.12 -40.26 93.12 Favored 'General case' 0 N--CA 1.461 0.119 0 CA-C-O 120.916 0.389 . . . . 10.0 110.092 179.412 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 40' ' ' ARG . . . . . 0.538 ' HD2' ' OE1' ' C' ' 43' ' ' GLU . 10.4 mmm180 -71.19 -31.89 68.18 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 115.951 -0.568 . . . . 10.0 109.606 178.725 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 41' ' ' ARG . . . . . 0.561 ' HD3' ' OE1' ' B' ' 27' ' ' GLU . 6.2 mmm-85 -63.28 -45.46 91.34 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.519 -0.764 . . . . 10.0 110.235 178.718 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 42' ' ' GLU . . . . . 0.668 ' HG3' ' O ' ' C' ' 38' ' ' ASN . 30.4 mt-10 -56.55 -37.99 71.27 Favored 'General case' 0 C--N 1.333 -0.14 0 CA-C-N 115.908 -0.587 . . . . 10.0 110.33 179.879 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 43' ' ' GLU . . . . . 0.538 ' OE1' ' HD2' ' C' ' 40' ' ' ARG . 55.1 mt-10 -63.35 -38.78 92.49 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.726 -0.67 . . . . 10.0 111.403 -179.761 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 44' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.327 -0.404 0 CA-C-N 116.468 -0.333 . . . . 10.0 111.386 -179.673 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.601 ' N ' ' HH ' ' A' ' 11' ' ' TYR . 67.2 mt . . . . . 0 N--CA 1.48 1.056 0 N-CA-C 110.038 -0.356 . . . . 10.0 110.038 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -86.92 158.89 19.2 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.386 -0.37 . . . . 10.0 110.068 179.746 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 51.6 tttt -56.51 -34.29 66.84 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.184 -0.462 . . . . 10.0 110.936 179.575 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -73.58 -27.93 61.57 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.829 -0.623 . . . . 10.0 111.419 179.885 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 11.9 m-20 -62.76 -50.81 69.59 Favored 'General case' 0 CA--C 1.52 -0.208 0 CA-C-O 121.067 0.461 . . . . 10.0 110.309 -179.746 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' TYR . . . . . 0.601 ' HH ' ' N ' ' A' ' 6' ' ' LEU . 44.1 m-85 -65.2 -38.42 90.39 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.716 -0.674 . . . . 10.0 109.953 179.922 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 37.5 tp -61.02 -45.4 94.98 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.917 -0.583 . . . . 10.0 110.631 179.559 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 59.8 mmm -64.77 -27.1 68.67 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.485 -0.325 . . . . 10.0 111.292 -179.923 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -78.7 -45.65 20.82 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.202 0.525 . . . . 10.0 109.65 179.207 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 88.0 mt -74.03 -21.76 59.83 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.79 -0.641 . . . . 10.0 111.79 -179.138 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' ARG . . . . . 0.527 ' HA ' ' NE ' ' A' ' 50' ' ' ARG . 33.8 mtt180 -72.54 -9.79 59.0 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.832 0.349 . . . . 10.0 111.012 179.676 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 17' ' ' ARG . . . . . 0.409 HH11 ' HD3' ' A' ' 17' ' ' ARG . 20.9 mtm-85 -88.62 -10.85 47.22 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 109.209 -0.663 . . . . 10.0 109.209 178.294 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 57.4 m -93.63 136.75 33.6 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.439 -0.8 . . . . 10.0 109.067 178.931 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 4.1 mm-40 -130.62 -175.42 3.65 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.574 -0.285 . . . . 10.0 111.581 -178.824 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 1.1 m 70.01 -4.1 1.59 Allowed 'General case' 0 CA--C 1.538 0.483 0 CA-C-N 115.608 -0.724 . . . . 10.0 112.722 178.61 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 73.5 mt 72.07 -53.32 0.26 Allowed 'Isoleucine or valine' 0 N--CA 1.471 0.604 0 C-N-CA 123.04 0.536 . . . . 10.0 111.36 -179.854 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 6.1 t70 -53.83 -45.08 70.76 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.723 -0.671 . . . . 10.0 111.852 -179.848 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 1.6 m -65.29 -33.26 75.56 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.875 0.369 . . . . 10.0 110.942 179.853 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 25.3 tp -67.7 -51.04 54.17 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.125 -0.489 . . . . 10.0 110.894 179.775 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 33.5 mt-10 -64.33 -14.93 59.06 Favored 'General case' 0 N--CA 1.464 0.269 0 CA-C-N 116.211 -0.449 . . . . 10.0 111.5 -179.458 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 8.1 ttm105 -87.19 -44.49 11.44 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.372 -0.377 . . . . 10.0 111.088 179.8 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 10.7 p -73.91 -34.03 38.49 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.435 0 N-CA-C 112.035 0.383 . . . . 10.0 112.035 -178.805 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 48.9 pt -67.76 -36.98 77.73 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.213 0 C-N-CA 120.744 -0.382 . . . . 10.0 111.54 -179.372 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 46.3 tp10 -67.15 -38.58 85.76 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 121.028 0.442 . . . . 10.0 109.987 179.796 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 96.1 mttt -68.77 -43.22 76.22 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.978 -0.556 . . . . 10.0 110.398 179.519 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -67.13 -25.84 66.39 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.171 -0.468 . . . . 10.0 110.468 179.789 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 32.8 ttmt -61.72 -35.55 78.39 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.072 0.463 . . . . 10.0 110.17 179.197 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 15.8 m-85 -83.27 2.11 37.63 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.992 -0.549 . . . . 10.0 111.311 -179.767 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 57.0 mt-10 -128.8 22.03 5.87 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.867 0.365 . . . . 10.0 111.498 -178.911 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 21.3 mt -109.39 159.32 17.11 Favored 'General case' 0 C--N 1.325 -0.461 0 C-N-CA 121.08 -0.248 . . . . 10.0 110.361 179.704 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' SER . . . . . 0.483 ' O ' ' HB2' ' A' ' 37' ' ' ASP . 0.8 OUTLIER -88.69 9.33 24.66 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 120.844 0.354 . . . . 10.0 111.068 -179.262 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 37' ' ' ASP . . . . . 0.483 ' HB2' ' O ' ' A' ' 36' ' ' SER . 98.6 m-20 76.96 -34.84 0.22 Allowed 'General case' 0 C--O 1.253 1.275 0 C-N-CA 124.353 1.061 . . . . 0.0 110.99 178.094 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -68.74 -44.83 72.98 Favored 'General case' 0 C--N 1.327 -0.388 0 O-C-N 121.089 -1.007 . . . . 10.0 111.723 -179.386 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -74.2 -14.3 60.92 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.327 0.584 . . . . 10.0 110.441 -179.167 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 46.1 tp -67.03 -18.82 65.54 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.592 -0.731 . . . . 10.0 110.559 179.831 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -62.06 -44.95 95.58 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.032 -0.531 . . . . 10.0 110.855 179.735 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -87.17 -23.27 6.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.168 -0.469 . . . . 10.0 110.818 179.75 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 55.8 t80 -67.45 -35.53 79.39 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.067 -0.515 . . . . 10.0 110.41 179.657 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -59.7 -53.16 61.28 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 116.117 -0.492 . . . . 10.0 110.478 179.394 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 45' ' ' SER . . . . . 0.415 ' HB3' ' OE1' ' C' ' 28' ' ' GLU . 1.4 m -62.3 -31.44 72.04 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.065 -0.516 . . . . 10.0 111.277 -179.863 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -65.92 -49.54 67.63 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.845 0.355 . . . . 10.0 110.472 179.5 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -66.12 -43.06 88.22 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.08 -0.509 . . . . 10.0 110.154 179.546 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -58.02 -51.05 71.26 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.88 -0.6 . . . . 10.0 110.515 179.649 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 3.2 t60 -60.68 -38.46 85.03 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.817 -0.629 . . . . 10.0 110.861 -179.877 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 50' ' ' ARG . . . . . 0.527 ' NE ' ' HA ' ' A' ' 16' ' ' ARG . 31.4 tpt180 -69.61 -37.93 77.05 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.179 -0.464 . . . . 10.0 111.035 -179.728 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 25.3 tp -66.43 -39.57 88.99 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.721 -0.218 . . . . 10.0 110.984 -179.5 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 52' ' ' ALA . . . . . 0.463 ' HB2' ' CH2' ' A' ' 68' ' ' TRP . . . -57.77 -49.24 77.27 Favored 'General case' 0 C--O 1.235 0.337 0 CA-C-N 116.384 -0.371 . . . . 10.0 111.776 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 7.6 pt-20 -72.01 -30.77 65.56 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.314 -0.403 . . . . 10.0 111.346 -179.341 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.481 HD12 ' HA ' ' A' ' 54' ' ' LEU . 7.4 tp -73.78 -49.46 25.29 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.319 -0.4 . . . . 10.0 111.589 -179.126 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 93.4 m -61.83 -39.15 90.82 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 111.875 0.324 . . . . 10.0 111.875 -179.268 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 56' ' ' MET . . . . . 0.492 ' HG3' ' CG2' ' A' ' 67' ' ' VAL . 30.5 mmm -85.89 -4.44 59.17 Favored 'General case' 0 C--N 1.326 -0.436 0 C-N-CA 121.127 -0.229 . . . . 10.0 111.523 -179.475 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 6.1 t30 54.99 45.91 25.42 Favored 'General case' 0 C--O 1.232 0.148 0 CA-C-O 121.311 0.577 . . . . 10.0 110.593 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 36.1 tttp -162.66 118.45 1.87 Allowed 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.709 -0.678 . . . . 10.0 109.709 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 3.7 mp -74.84 134.43 41.71 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 116.323 -0.398 . . . . 10.0 111.362 -179.382 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 42.6 m-85 -138.23 134.49 34.49 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.531 -0.759 . . . . 10.0 110.175 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -74.04 -42.1 60.77 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 108.766 -0.827 . . . . 10.0 108.766 178.521 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 23.3 pttp -106.17 142.69 35.44 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 108.392 -0.966 . . . . 10.0 108.392 178.245 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 47.7 mm -108.3 120.51 46.43 Favored Pre-proline 0 C--N 1.321 -0.651 0 C-N-CA 120.954 -0.298 . . . . 10.0 111.536 -178.521 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 64' ' ' PRO . . . . . 0.442 ' HG2' ' HB ' ' A' ' 67' ' ' VAL . 59.9 Cg_endo -82.39 137.39 9.25 Favored 'Trans proline' 0 N--CA 1.453 -0.892 0 C-N-CA 122.348 2.032 . . . . 10.0 110.843 177.949 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -56.73 -25.66 55.16 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 112.223 0.453 . . . . 10.0 112.223 -178.814 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 95.8 p -76.49 -1.18 25.93 Favored 'General case' 0 C--O 1.258 1.551 0 O-C-N 121.556 -0.715 . . . . 0.0 110.975 -178.131 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.492 ' CG2' ' HG3' ' A' ' 56' ' ' MET . 0.9 OUTLIER -102.31 -13.77 8.4 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.047 0 CA-C-N 119.86 1.209 . . . . 10.0 112.095 -178.65 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 68' ' ' TRP . . . . . 0.614 ' CZ2' ' HE2' ' C' ' 32' ' ' LYS . 40.6 m95 -73.68 -5.38 40.18 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 112.187 0.44 . . . . 10.0 112.187 -178.763 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 69' ' ' LYS . . . . . 0.432 ' HD3' ' O ' ' A' ' 69' ' ' LYS . 12.8 tppt? -69.86 -29.17 66.34 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.244 0.545 . . . . 10.0 110.201 179.285 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 75.0 m-85 -79.62 -10.9 59.87 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.12 -0.491 . . . . 10.0 111.473 -179.056 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 71' ' ' ILE . . . . . 0.412 HD11 ' HA ' ' A' ' 52' ' ' ALA . 3.7 mp -102.83 113.32 39.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-O 121.305 0.574 . . . . 10.0 109.995 -179.8 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 72' ' ' ARG . . . . . 0.566 ' HA ' ' NH1' ' B' ' 15' ' ' ARG . 71.9 mtp180 . . . . . 0 C--O 1.246 0.901 0 CA-C-O 118.565 -0.731 . . . . 10.0 110.471 -179.096 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.455 -0.222 0 N-CA-C 109.81 -0.441 . . . . 10.0 109.81 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . -81.66 -49.3 10.65 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.813 -0.631 . . . . 10.0 111.083 -179.734 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -66.21 -14.28 61.64 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.048 -0.524 . . . . 10.0 111.707 -178.918 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 67.1 tttt -78.68 -29.42 45.57 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 120.951 0.405 . . . . 10.0 110.932 -179.819 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 7' ' ' ILE . . . . . . . . . . . . . 13.9 mt -75.03 -26.24 18.98 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-N 116.144 -0.48 . . . . 10.0 110.646 -179.408 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 10.5 mp -81.59 -10.01 59.54 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.777 -0.647 . . . . 10.0 111.128 -179.405 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 9' ' ' ASN . . . . . . . . . . . . . 19.6 t-20 -71.4 -47.53 55.52 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.026 0.441 . . . . 10.0 110.426 -179.821 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 10' ' ' ASN . . . . . 0.517 ' OD1' ' HB2' ' B' ' 12' ' ' ARG . 20.4 t-20 -104.4 130.3 52.28 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.853 -0.612 . . . . 10.0 110.498 -179.732 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 36.6 mt -65.56 -33.11 61.39 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-N 115.747 -0.661 . . . . 10.0 112.648 -178.678 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 12' ' ' ARG . . . . . 0.517 ' HB2' ' OD1' ' B' ' 10' ' ' ASN . 17.6 mmt85 -63.17 -39.74 95.53 Favored 'General case' 0 N--CA 1.465 0.31 0 CA-C-O 120.676 0.274 . . . . 10.0 111.08 -179.1 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 13' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -77.45 -35.12 54.2 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.096 0.475 . . . . 10.0 110.779 179.586 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 47.3 tp -69.16 -41.12 77.68 Favored 'General case' 0 C--O 1.234 0.285 0 CA-C-N 115.701 -0.681 . . . . 10.0 111.94 -179.304 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 15' ' ' ARG . . . . . 0.566 ' NH1' ' HA ' ' A' ' 72' ' ' ARG . 33.8 mtt180 -56.52 -38.85 72.39 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.459 -0.337 . . . . 10.0 111.312 -179.575 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 16' ' ' ALA . . . . . . . . . . . . . . . -65.45 -41.59 93.27 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.318 -0.401 . . . . 10.0 111.512 -179.887 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 17' ' ' GLN . . . . . 0.559 ' O ' ' HG2' ' B' ' 20' ' ' GLU . 3.4 tp60 -70.61 -33.15 70.72 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.046 0.45 . . . . 10.0 111.25 -179.361 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -68.9 -9.6 52.64 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.217 -0.447 . . . . 10.0 112.106 -179.259 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 19' ' ' ARG . . . . . 0.402 ' HG2' ' O ' ' B' ' 15' ' ' ARG . 20.5 mmm180 -83.19 -8.62 59.46 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 111.958 0.355 . . . . 10.0 111.958 -179.53 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 20' ' ' GLU . . . . . 0.559 ' HG2' ' O ' ' B' ' 17' ' ' GLN . 10.7 pt-20 -100.7 2.83 41.83 Favored 'General case' 0 C--N 1.328 -0.356 0 C-N-CA 120.802 -0.359 . . . . 10.0 111.146 179.871 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 21' ' ' CYS . . . . . . . . . . . . . 79.3 m -130.28 152.54 49.59 Favored 'General case' 0 CA--C 1.511 -0.536 0 CA-C-O 120.831 0.348 . . . . 0.0 110.956 179.454 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -81.2 164.98 21.92 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.036 -0.529 . . . . 10.0 111.251 179.16 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 47.6 tp -55.02 -47.82 74.21 Favored 'General case' 0 N--CA 1.463 0.2 0 CA-C-N 116.28 -0.418 . . . . 10.0 111.135 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 40.3 mt-10 -56.86 -43.94 81.69 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.148 -0.478 . . . . 10.0 111.426 -179.237 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -64.28 -43.5 94.58 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.835 0.35 . . . . 10.0 111.061 -179.93 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 26' ' ' LEU . . . . . 0.503 ' O ' ' HG3' ' B' ' 29' ' ' MET . 81.8 mt -68.51 -41.57 79.8 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.931 -0.577 . . . . 10.0 110.663 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 23.5 tt0 -64.51 -41.13 96.6 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.261 -0.427 . . . . 10.0 110.51 179.793 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 13.5 tt0 -61.43 -48.84 79.35 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.017 -0.538 . . . . 10.0 110.837 179.747 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 29' ' ' MET . . . . . 0.513 ' SD ' HD21 ' C' ' 33' ' ' LEU . 4.5 ppp? -70.21 -26.76 64.02 Favored 'General case' 0 C--N 1.33 -0.258 0 C-N-CA 121.004 -0.278 . . . . 10.0 110.756 -179.369 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 40.2 tp -62.22 -47.09 85.98 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-O 120.918 0.39 . . . . 10.0 109.963 178.655 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 17.9 mt-10 -65.23 -32.83 74.7 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.765 -0.652 . . . . 10.0 110.534 179.676 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 32' ' ' LYS . . . . . 0.446 ' O ' HG23 ' B' ' 36' ' ' VAL . 13.1 mttt -65.56 -46.16 80.55 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.201 -0.454 . . . . 10.0 110.22 179.492 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 33' ' ' LEU . . . . . 0.486 ' O ' HG23 ' B' ' 37' ' ' VAL . 52.5 tp -70.36 -39.57 74.56 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.422 -0.354 . . . . 10.0 110.658 179.829 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 11.2 tp10 -56.4 -48.8 76.16 Favored 'General case' 0 CA--C 1.532 0.282 0 CA-C-N 116.133 -0.485 . . . . 10.0 111.525 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 35' ' ' VAL . . . . . 0.435 ' O ' ' HG3' ' B' ' 39' ' ' GLU . 27.2 m -64.89 -34.96 73.93 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.276 0 C-N-CA 120.617 -0.433 . . . . 10.0 111.26 -179.52 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 36' ' ' VAL . . . . . 0.446 HG23 ' O ' ' B' ' 32' ' ' LYS . 70.4 t -65.18 -44.01 95.41 Favored 'Isoleucine or valine' 0 C--O 1.238 0.454 0 CA-C-O 121.011 0.434 . . . . 10.0 109.988 179.238 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 37' ' ' VAL . . . . . 0.486 HG23 ' O ' ' B' ' 33' ' ' LEU . 47.6 t -67.44 -38.37 80.59 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.26 0 N-CA-C 109.383 -0.599 . . . . 10.0 109.383 178.88 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 65.3 t30 -60.08 -40.14 88.55 Favored 'General case' 0 C--O 1.234 0.251 0 CA-C-N 116.042 -0.527 . . . . 10.0 109.976 178.889 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 39' ' ' GLU . . . . . 0.435 ' HG3' ' O ' ' B' ' 35' ' ' VAL . 95.2 mt-10 -59.97 -46.33 89.76 Favored 'General case' 0 N--CA 1.456 -0.148 0 N-CA-C 109.37 -0.604 . . . . 10.0 109.37 178.295 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 40' ' ' ARG . . . . . 0.43 HH11 ' HD3' ' B' ' 40' ' ' ARG . 9.6 mmm-85 -61.84 -41.12 97.41 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 115.649 -0.705 . . . . 10.0 110.681 179.458 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 41' ' ' ARG . . . . . . . . . . . . . 59.5 mtt180 -56.93 -44.12 82.14 Favored 'General case' 0 CA--C 1.521 -0.147 0 N-CA-C 109.624 -0.51 . . . . 10.0 109.624 178.954 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 7.0 tp10 -69.8 -46.72 65.08 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.431 -0.804 . . . . 10.0 111.004 -179.823 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 50.1 mt-10 -58.63 -35.91 73.24 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.453 -0.34 . . . . 10.0 111.791 -178.943 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -83.72 -32.83 25.3 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 112.356 0.502 . . . . 10.0 112.356 -179.266 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 45' ' ' SER . . . . . . . . . . . . . 23.2 p -79.2 -25.66 42.68 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.895 0.378 . . . . 10.0 110.827 -179.688 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.45 0 CA-C-N 116.15 -0.477 . . . . 10.0 110.85 179.325 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' C' C ' 3' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.143 0 CA-C-O 120.807 0.337 . . . . 10.0 111.101 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 4' ' ' ALA . . . . . . . . . . . . . . . -61.15 -38.07 85.1 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.286 -0.416 . . . . 10.0 111.612 -179.159 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 5' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -67.57 -24.51 65.52 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.129 -0.487 . . . . 10.0 111.516 -179.424 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 6' ' ' LYS . . . . . . . . . . . . . 20.0 tptm -73.16 -38.39 66.22 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.763 0.316 . . . . 10.0 111.164 -179.465 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 7' ' ' ILE . . . . . . . . . . . . . 7.6 mt -66.99 -33.5 63.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-O 121.212 0.53 . . . . 10.0 110.513 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 8' ' ' LEU . . . . . . . . . . . . . 9.0 mp -79.13 -5.87 55.17 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.287 -0.869 . . . . 10.0 111.219 -179.46 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 9' ' ' ASN . . . . . . . . . . . . . 2.4 t-20 -86.32 -14.17 44.4 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.024 0.44 . . . . 10.0 110.406 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 10' ' ' ASN . . . . . 0.523 ' HB3' ' OG1' ' C' ' 13' ' ' THR . 15.2 t-20 -103.24 115.72 31.11 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.73 -0.668 . . . . 10.0 110.032 -179.776 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 11' ' ' ILE . . . . . . . . . . . . . 4.6 tp -58.57 -27.57 34.26 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.353 0 CA-C-N 115.833 -0.621 . . . . 10.0 112.443 -178.632 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 12' ' ' ARG . . . . . . . . . . . . . 15.1 mmt180 -69.02 -56.54 7.44 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.695 0.283 . . . . 10.0 111.026 -179.611 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 13' ' ' THR . . . . . 0.523 ' OG1' ' HB3' ' C' ' 10' ' ' ASN . 1.2 p -67.7 -34.11 76.23 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.187 -0.46 . . . . 10.0 110.995 -179.507 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 14' ' ' LEU . . . . . . . . . . . . . 28.1 tp -59.81 -51.13 71.04 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.164 -0.471 . . . . 10.0 110.296 179.588 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 15' ' ' ARG . . . . . 0.405 HH11 ' HD2' ' C' ' 15' ' ' ARG . 36.5 ttm105 -64.5 -36.05 82.95 Favored 'General case' 0 CA--C 1.532 0.281 0 CA-C-O 120.922 0.391 . . . . 10.0 110.266 179.78 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 16' ' ' ALA . . . . . . . . . . . . . . . -65.3 -46.41 80.5 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.174 -0.466 . . . . 10.0 111.677 -179.907 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 17' ' ' GLN . . . . . . . . . . . . . 98.2 mt-30 -74.21 -39.21 63.27 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.945 0.402 . . . . 10.0 111.49 -179.35 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 18' ' ' ALA . . . . . . . . . . . . . . . -67.32 -28.02 67.64 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.381 -0.372 . . . . 10.0 111.906 -179.532 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 19' ' ' ARG . . . . . . . . . . . . . 7.7 mtt180 -68.62 -12.98 62.04 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 111.938 0.347 . . . . 10.0 111.938 -179.32 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 20' ' ' GLU . . . . . . . . . . . . . 22.7 mt-10 -92.16 -1.47 57.14 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.979 0.418 . . . . 10.0 110.231 179.202 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 21' ' ' CYS . . . . . . . . . . . . . 71.8 m -111.82 153.28 26.82 Favored 'General case' 0 CA--C 1.511 -0.534 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.977 179.574 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 22' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -76.84 152.04 35.64 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.74 -0.664 . . . . 10.0 110.843 179.903 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 16.3 tp -62.83 -33.42 75.19 Favored 'General case' 0 C--N 1.332 -0.17 0 N-CA-C 110.027 -0.36 . . . . 10.0 110.027 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 24' ' ' GLU . . . . . . . . . . . . . 2.2 tp10 -53.9 -44.32 70.4 Favored 'General case' 0 C--O 1.231 0.079 0 CA-C-N 115.819 -0.628 . . . . 10.0 109.901 178.743 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 25' ' ' THR . . . . . 0.451 ' O ' ' HB3' ' C' ' 29' ' ' MET . 0.2 OUTLIER -78.02 -38.73 44.05 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.693 -0.685 . . . . 10.0 111.32 -179.574 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' C' C ' 26' ' ' LEU . . . . . . . . . . . . . 94.4 mt -64.19 -45.62 87.56 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.295 -0.411 . . . . 10.0 111.822 -179.347 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 27' ' ' GLU . . . . . . . . . . . . . 6.6 tp10 -65.82 -50.63 63.93 Favored 'General case' 0 C--N 1.327 -0.408 0 C-N-CA 121.198 -0.201 . . . . 10.0 111.187 -179.209 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 28' ' ' GLU . . . . . 0.415 ' OE1' ' HB3' ' A' ' 45' ' ' SER . 2.0 tt0 -69.69 -4.31 19.04 Favored 'General case' 0 N--CA 1.469 0.517 0 N-CA-C 111.736 0.273 . . . . 10.0 111.736 -179.176 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 29' ' ' MET . . . . . 0.451 ' HB3' ' O ' ' C' ' 25' ' ' THR . 3.2 ptp -105.36 -31.54 9.0 Favored 'General case' 0 C--N 1.33 -0.256 0 N-CA-C 109.714 -0.476 . . . . 10.0 109.714 177.995 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 30' ' ' LEU . . . . . . . . . . . . . 34.5 tp -70.88 -37.45 73.03 Favored 'General case' 0 CA--C 1.518 -0.269 0 N-CA-C 109.766 -0.457 . . . . 10.0 109.766 179.302 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 31' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -60.55 -27.82 67.96 Favored 'General case' 0 N--CA 1.455 -0.209 0 CA-C-N 115.932 -0.576 . . . . 10.0 110.467 179.379 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 32' ' ' LYS . . . . . 0.614 ' HE2' ' CZ2' ' A' ' 68' ' ' TRP . 31.8 mmtp -77.09 -34.41 56.9 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.162 0.506 . . . . 10.0 110.531 179.638 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 33' ' ' LEU . . . . . 0.513 HD21 ' SD ' ' B' ' 29' ' ' MET . 54.8 tp -74.73 -45.54 43.43 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.825 -0.625 . . . . 10.0 111.6 -179.372 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 34' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -61.5 -37.21 82.86 Favored 'General case' 0 C--N 1.33 -0.266 0 C-N-CA 121.021 -0.272 . . . . 10.0 111.583 -178.923 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 35' ' ' VAL . . . . . . . . . . . . . 31.1 m -74.49 -31.4 27.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 C-N-CA 120.743 -0.383 . . . . 10.0 110.525 179.622 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 36' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -67.46 -33.77 64.44 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.288 0 CA-C-O 121.127 0.489 . . . . 10.0 109.745 179.368 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 37' ' ' VAL . . . . . 0.424 HG23 ' O ' ' C' ' 33' ' ' LEU . 57.6 t -77.62 -36.89 23.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 115.969 -0.559 . . . . 10.0 109.911 178.869 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 38' ' ' ASN . . . . . . . . . . . . . 3.0 t30 -60.49 -40.11 90.13 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.993 -0.549 . . . . 10.0 110.361 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 39' ' ' GLU . . . . . . . . . . . . . 10.0 mt-10 -61.28 -39.21 89.56 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.208 -0.451 . . . . 10.0 110.423 179.108 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 40' ' ' ARG . . . . . 0.512 ' HD2' ' OE1' ' C' ' 43' ' ' GLU . 11.8 mmm180 -67.55 -33.99 76.17 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 109.324 -0.621 . . . . 10.0 109.324 178.614 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 41' ' ' ARG . . . . . 0.4 ' HE ' ' HB3' ' C' ' 41' ' ' ARG . 8.7 mmm180 -63.68 -43.63 96.09 Favored 'General case' 0 C--O 1.232 0.151 0 N-CA-C 109.215 -0.661 . . . . 10.0 109.215 178.625 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 42' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -60.67 -43.29 97.84 Favored 'General case' 0 N--CA 1.455 -0.217 0 CA-C-N 115.43 -0.805 . . . . 10.0 110.337 179.334 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 43' ' ' GLU . . . . . 0.512 ' OE1' ' HD2' ' C' ' 40' ' ' ARG . 49.3 mt-10 -56.83 -46.34 81.75 Favored 'General case' 0 C--O 1.233 0.209 0 CA-C-O 120.955 0.407 . . . . 10.0 110.661 179.395 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 44' ' ' GLU . . . . . . . . . . . . . 1.5 tp10 . . . . . 0 C--N 1.326 -0.456 0 CA-C-N 115.654 -0.703 . . . . 10.0 111.718 -179.256 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.482 1.137 0 CA-C-O 120.512 0.196 . . . . 10.0 110.627 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -91.12 153.94 19.71 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.544 -0.298 . . . . 10.0 110.582 179.685 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 37.7 pttt -70.57 -20.13 62.81 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.752 0.311 . . . . 10.0 110.893 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -67.48 -37.54 83.05 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.301 -0.409 . . . . 10.0 110.649 179.177 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 31.2 m-20 -61.04 -50.58 72.77 Favored 'General case' 0 CA--C 1.521 -0.162 0 CA-C-O 121.401 0.62 . . . . 10.0 109.847 179.543 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 84.7 m-85 -65.59 -35.64 81.42 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.295 -0.866 . . . . 10.0 110.501 179.481 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 60.9 tp -60.45 -42.4 96.06 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.51 -0.313 . . . . 10.0 110.447 179.658 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 14.9 mmt -70.35 -33.8 71.88 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.785 0.326 . . . . 10.0 110.938 -179.756 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.65 -32.29 63.92 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.276 -0.42 . . . . 10.0 110.565 179.602 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 81.8 mt -86.91 -18.28 31.19 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.449 -0.342 . . . . 10.0 111.417 -179.647 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.488 ' HA ' ' NE ' ' A' ' 50' ' ' ARG . 49.8 mtt180 -72.58 -7.04 48.14 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.878 0.371 . . . . 10.0 110.8 179.724 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 61.4 mtm-85 -84.18 -13.82 51.79 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.147 -0.479 . . . . 10.0 109.97 178.763 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 20.7 m -95.89 134.78 38.46 Favored 'General case' 0 C--O 1.236 0.351 0 CA-C-N 115.695 -0.684 . . . . 10.0 109.892 179.181 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 19.3 mm-40 -120.85 -166.99 1.41 Allowed 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.358 -0.383 . . . . 10.0 110.817 -179.378 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' THR . . . . . 0.432 ' O ' ' HB ' ' A' ' 21' ' ' ILE . 11.0 p 60.48 -3.7 0.13 Allowed 'General case' 0 N--CA 1.473 0.711 0 N-CA-C 114.531 1.308 . . . . 10.0 114.531 179.052 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.432 ' HB ' ' O ' ' A' ' 20' ' ' THR . 98.7 mt 71.97 -51.82 0.24 Allowed 'Isoleucine or valine' 0 N--CA 1.474 0.749 0 C-N-CA 122.756 0.422 . . . . 10.0 110.858 -178.952 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -55.3 -39.57 70.05 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.661 -0.7 . . . . 10.0 111.205 179.793 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 5.1 m -65.97 -34.72 78.75 Favored 'General case' 0 C--O 1.235 0.29 0 CA-C-O 121.108 0.48 . . . . 10.0 110.771 179.099 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.493 ' O ' HG12 ' A' ' 28' ' ' ILE . 34.3 tp -68.17 -37.71 81.29 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.958 -0.565 . . . . 10.0 110.646 -179.466 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 19.2 tp10 -64.21 -25.97 68.3 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.039 0.447 . . . . 10.0 111.182 -179.7 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 27.8 mtt85 -80.47 -41.6 24.07 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.565 -0.289 . . . . 10.0 111.583 -179.761 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 13.8 p -68.72 -41.25 82.43 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 C-N-CA 120.906 -0.318 . . . . 10.0 111.308 -178.912 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.493 HG12 ' O ' ' A' ' 24' ' ' LEU . 40.0 pt -67.98 -30.55 48.57 Favored 'Isoleucine or valine' 0 N--CA 1.461 0.1 0 CA-C-O 120.794 0.331 . . . . 10.0 110.46 179.806 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 45.8 tp10 -67.38 -39.85 85.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.984 -0.553 . . . . 10.0 110.181 179.217 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 33.5 mttp -75.6 -47.83 24.88 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.0 -0.546 . . . . 10.0 111.481 -179.516 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' ASN . . . . . 0.552 ' O ' ' HG ' ' A' ' 35' ' ' LEU . 12.8 m120 -61.81 -24.18 66.7 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.794 0.33 . . . . 10.0 110.796 -179.654 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 18.0 ttmt -57.87 -30.69 66.03 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.911 -0.586 . . . . 10.0 111.083 179.675 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 44.5 m-85 -99.98 5.4 45.16 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.28 -0.418 . . . . 10.0 111.323 -179.31 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 72.9 mt-10 -109.37 -34.06 6.65 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.352 -0.385 . . . . 10.0 111.058 179.789 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.552 ' HG ' ' O ' ' A' ' 31' ' ' ASN . 53.1 mt -67.35 153.29 44.04 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.254 -0.43 . . . . 10.0 111.312 -179.053 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' SER . . . . . 0.631 ' HB2' ' OD1' ' A' ' 38' ' ' ASN . 1.3 m -95.03 15.14 19.66 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.961 -0.563 . . . . 10.0 111.313 -178.963 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' ASP . . . . . 0.507 ' HB2' ' O ' ' A' ' 36' ' ' SER . 98.5 m-20 78.69 -26.23 0.18 Allowed 'General case' 0 C--O 1.257 1.5 0 C-N-CA 124.733 1.213 . . . . 0.0 111.06 177.337 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' ASN . . . . . 0.631 ' OD1' ' HB2' ' A' ' 36' ' ' SER . 3.0 p-10 -72.48 -38.62 68.13 Favored 'General case' 0 C--N 1.322 -0.63 0 O-C-N 120.507 -1.371 . . . . 10.0 111.223 -179.024 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -88.91 -12.06 42.77 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.255 0.55 . . . . 10.0 109.828 -179.832 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 54.8 tp -60.63 -26.38 66.99 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.395 -0.821 . . . . 10.0 110.717 179.607 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -59.14 -52.67 64.73 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.153 -0.476 . . . . 10.0 111.231 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 5.7 m -79.03 -24.3 12.85 Favored 'Isoleucine or valine' 0 C--O 1.233 0.236 0 C-N-CA 120.933 -0.307 . . . . 10.0 110.674 179.612 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 49.2 t80 -64.76 -38.61 91.58 Favored 'General case' 0 C--N 1.33 -0.273 0 N-CA-C 109.665 -0.495 . . . . 10.0 109.665 178.902 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 1.6 m-85 -60.05 -45.25 93.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.026 -0.534 . . . . 10.0 109.711 178.541 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' SER . . . . . 0.642 ' O ' ' HB2' ' A' ' 49' ' ' HIS . 23.8 m -62.0 -38.92 90.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.72 -0.673 . . . . 10.0 110.666 179.15 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -65.11 -46.4 81.2 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.327 -0.397 . . . . 10.0 111.031 179.827 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -64.3 -49.57 71.26 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.032 -0.531 . . . . 10.0 110.715 179.737 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 18.7 m-20 -59.15 -45.27 91.41 Favored 'General case' 0 N--CA 1.463 0.211 0 CA-C-O 121.251 0.548 . . . . 10.0 110.147 179.593 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' HIS . . . . . 0.642 ' HB2' ' O ' ' A' ' 45' ' ' SER . 0.7 OUTLIER -61.11 -45.96 92.56 Favored 'General case' 0 N--CA 1.462 0.169 0 CA-C-N 115.566 -0.743 . . . . 10.0 110.63 -180.0 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 50' ' ' ARG . . . . . 0.488 ' NE ' ' HA ' ' A' ' 16' ' ' ARG . 23.0 tpt180 -63.63 -40.72 97.6 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.644 -0.707 . . . . 10.0 111.525 -179.623 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.415 HD23 HG13 ' A' ' 71' ' ' ILE . 35.7 tp -68.18 -40.21 82.34 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.532 -0.304 . . . . 10.0 110.892 -179.679 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -60.3 -50.49 73.41 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.355 -0.384 . . . . 10.0 111.978 -179.738 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -65.74 -34.65 78.69 Favored 'General case' 0 C--O 1.235 0.292 0 CA-C-O 120.822 0.344 . . . . 10.0 111.073 -179.345 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.414 HD12 ' HA ' ' A' ' 54' ' ' LEU . 8.2 tp -73.55 -34.52 65.21 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.271 -0.422 . . . . 10.0 111.508 -179.474 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 78.3 m -71.02 -42.7 69.21 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.83 0.348 . . . . 10.0 111.102 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 95.1 mmm -79.97 -11.88 59.76 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.222 -0.445 . . . . 10.0 110.815 -179.911 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 21.8 t30 61.12 35.3 18.68 Favored 'General case' 0 N--CA 1.464 0.275 0 CA-C-N 115.546 -0.752 . . . . 10.0 111.041 179.73 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 18.8 tptp -151.59 113.75 4.52 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.721 -0.672 . . . . 10.0 109.478 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 2.2 mp -70.3 130.04 40.93 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 116.14 -0.482 . . . . 10.0 111.495 -179.554 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 21.5 m-85 -138.99 139.36 37.87 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.617 -0.72 . . . . 10.0 109.593 179.368 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 69.8 m-20 -60.56 -54.32 46.85 Favored 'General case' 0 CA--C 1.514 -0.407 0 N-CA-C 108.952 -0.758 . . . . 10.0 108.952 178.791 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -101.92 145.2 29.57 Favored 'General case' 0 N--CA 1.446 -0.667 0 N-CA-C 108.076 -1.083 . . . . 10.0 108.076 177.572 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 40.6 mm -104.87 119.11 54.48 Favored Pre-proline 0 C--N 1.319 -0.75 0 C-N-CA 120.384 -0.526 . . . . 10.0 111.265 -179.188 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' PRO . . . . . 0.429 ' HB2' HG23 ' A' ' 67' ' ' VAL . 48.6 Cg_exo -55.06 143.69 72.59 Favored 'Trans proline' 0 CA--C 1.532 0.405 0 C-N-CA 122.668 2.245 . . . . 10.0 111.54 178.434 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -55.27 -39.35 69.71 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 113.217 0.821 . . . . 10.0 113.217 -177.881 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 97.8 p -69.11 -9.73 54.16 Favored 'General case' 0 C--O 1.258 1.523 0 O-C-N 121.653 -0.654 . . . . 0.0 111.0 -177.251 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.429 HG23 ' HB2' ' A' ' 64' ' ' PRO . 91.1 t -82.51 -29.2 8.87 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.116 0 CA-C-N 119.462 1.028 . . . . 10.0 111.279 -178.579 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 68' ' ' TRP . . . . . 0.491 ' HA ' HD13 ' A' ' 71' ' ' ILE . 64.7 m95 -63.19 -15.78 58.05 Favored 'General case' 0 N--CA 1.466 0.351 0 CA-C-O 121.12 0.486 . . . . 10.0 111.377 -179.51 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 25.4 tptp -73.4 -18.38 61.16 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.893 -0.594 . . . . 10.0 111.529 -179.493 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 33.9 m-85 -96.13 8.38 43.96 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 111.848 0.314 . . . . 10.0 111.848 -178.667 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.491 HD13 ' HA ' ' A' ' 68' ' ' TRP . 1.7 mp -89.42 127.03 42.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-O 121.005 0.431 . . . . 10.0 110.456 -179.917 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 4.7 mmp_? . . . . . 0 C--O 1.251 1.141 0 CA-C-O 118.431 -0.795 . . . . 10.0 110.071 -179.942 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.449 -0.482 0 CA-C-O 120.935 0.397 . . . . 10.0 110.156 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . -78.06 -37.05 47.56 Favored 'General case' 0 N--CA 1.454 -0.263 0 CA-C-N 116.196 -0.456 . . . . 10.0 110.964 -179.916 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 8.1 mp -72.4 -10.18 59.46 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.313 -0.403 . . . . 10.0 111.24 -179.812 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 9.5 tptt -74.68 -49.33 21.69 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.168 -0.469 . . . . 10.0 110.672 -179.627 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 7' ' ' ILE . . . . . . . . . . . . . 26.9 pt -76.63 -16.45 14.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.035 -0.529 . . . . 10.0 111.345 -179.374 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -75.63 -17.02 60.13 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.897 -0.592 . . . . 10.0 112.106 -179.287 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 9' ' ' ASN . . . . . . . . . . . . . 65.3 t30 -81.77 -5.4 58.13 Favored 'General case' 0 C--N 1.33 -0.28 0 C-N-CA 120.999 -0.28 . . . . 10.0 111.639 -178.89 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 10' ' ' ASN . . . . . 0.486 ' OD1' ' HB2' ' B' ' 12' ' ' ARG . 15.5 t-20 -122.08 128.88 51.86 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.233 0.539 . . . . 10.0 110.901 179.423 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 15.4 mt -61.38 -36.54 73.7 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-N 115.202 -0.908 . . . . 10.0 112.29 -178.456 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 12' ' ' ARG . . . . . 0.486 ' HB2' ' OD1' ' B' ' 10' ' ' ASN . 98.0 mtt180 -64.19 -51.13 65.25 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.746 -0.206 . . . . 10.0 111.475 -179.254 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 13' ' ' THR . . . . . 0.485 ' OG1' ' HB3' ' B' ' 10' ' ' ASN . 0.6 OUTLIER -66.64 -36.03 81.6 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.129 0.49 . . . . 10.0 110.862 179.896 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 11.6 tp -61.8 -38.54 88.47 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.524 -0.762 . . . . 10.0 110.969 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 15' ' ' ARG . . . . . 0.423 ' O ' ' HG2' ' B' ' 19' ' ' ARG . 62.3 mtt180 -61.88 -37.96 86.53 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.27 -0.423 . . . . 10.0 111.256 179.673 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 16' ' ' ALA . . . . . . . . . . . . . . . -67.69 -41.87 82.98 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.358 -0.383 . . . . 10.0 112.014 -179.124 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 17' ' ' GLN . . . . . 0.599 ' O ' ' HG2' ' B' ' 20' ' ' GLU . 0.9 OUTLIER -74.11 -27.23 60.77 Favored 'General case' 0 C--N 1.327 -0.392 0 C-N-CA 120.946 -0.302 . . . . 10.0 110.948 -179.391 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -77.15 0.89 19.99 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.962 0.411 . . . . 10.0 111.214 179.808 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 19' ' ' ARG . . . . . 0.423 ' HG2' ' O ' ' B' ' 15' ' ' ARG . 20.8 mmt180 -88.78 -8.88 53.63 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.293 -0.412 . . . . 10.0 110.77 179.833 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 20' ' ' GLU . . . . . 0.599 ' HG2' ' O ' ' B' ' 17' ' ' GLN . 11.2 pt-20 -107.44 8.72 29.65 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.156 0.503 . . . . 10.0 110.845 -179.821 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 21' ' ' CYS . . . . . 0.456 ' SG ' HD13 ' C' ' 5' ' ' LEU . 65.5 m -127.49 133.99 49.84 Favored 'General case' 0 CA--C 1.511 -0.552 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.967 179.571 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -66.81 159.05 28.94 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 116.325 -0.398 . . . . 10.0 110.68 178.16 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 23' ' ' LEU . . . . . 0.612 HD21 ' HD2' ' C' ' 41' ' ' ARG . 29.6 tp -50.84 -44.38 59.41 Favored 'General case' 0 C--N 1.33 -0.26 0 O-C-N 123.445 0.466 . . . . 10.0 111.646 -179.323 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -53.64 -49.32 68.16 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.917 -0.583 . . . . 10.0 112.055 -179.462 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -61.28 -40.46 94.2 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.469 -0.332 . . . . 10.0 111.235 -179.844 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 82.5 mt -64.01 -44.91 91.18 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.02 -0.536 . . . . 10.0 110.434 -179.873 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 8.8 mt-10 -66.1 -43.22 87.87 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.257 -0.428 . . . . 10.0 110.538 179.339 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 15.2 tt0 -61.37 -46.1 91.62 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.119 -0.491 . . . . 10.0 111.24 -179.728 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 29' ' ' MET . . . . . . . . . . . . . 20.7 ptp -68.5 -31.67 71.09 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.685 -0.234 . . . . 10.0 110.99 -179.355 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 52.3 tp -64.82 -43.43 93.15 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 109.736 -0.468 . . . . 10.0 109.736 179.576 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 -63.71 -40.45 96.79 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.72 -0.673 . . . . 10.0 110.476 179.007 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -66.34 -40.32 89.77 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.802 -0.635 . . . . 10.0 110.862 179.831 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 33' ' ' LEU . . . . . 0.459 ' O ' HG23 ' B' ' 37' ' ' VAL . 26.7 tp -70.96 -37.25 72.78 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.035 0.445 . . . . 10.0 110.034 179.057 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 5.2 tp10 -55.5 -52.21 64.43 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.675 -0.693 . . . . 10.0 111.539 179.845 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 35' ' ' VAL . . . . . . . . . . . . . 34.5 m -64.95 -29.85 48.61 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.109 0 CA-C-N 116.65 -0.25 . . . . 10.0 111.494 -179.235 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 24.3 t -69.6 -46.61 75.0 Favored 'Isoleucine or valine' 0 C--O 1.234 0.261 0 N-CA-C 109.709 -0.478 . . . . 10.0 109.709 179.02 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 37' ' ' VAL . . . . . 0.459 HG23 ' O ' ' B' ' 33' ' ' LEU . 48.6 t -65.09 -35.12 74.69 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.161 0 N-CA-C 109.087 -0.709 . . . . 10.0 109.087 178.336 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 56.3 t30 -62.61 -40.68 97.74 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.721 -0.672 . . . . 10.0 109.726 178.699 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 39' ' ' GLU . . . . . 0.516 ' O ' ' HG3' ' B' ' 43' ' ' GLU . 79.7 mt-10 -61.13 -47.39 86.46 Favored 'General case' 0 CA--C 1.52 -0.183 0 CA-C-N 116.026 -0.534 . . . . 10.0 109.76 178.694 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 7.9 mmm180 -64.1 -42.85 96.75 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.894 -0.594 . . . . 10.0 110.191 179.487 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 41' ' ' ARG . . . . . 0.418 HH21 ' CD ' ' C' ' 27' ' ' GLU . 82.8 mtt180 -60.34 -39.85 88.58 Favored 'General case' 0 CA--C 1.521 -0.144 0 CA-C-N 116.119 -0.492 . . . . 10.0 110.271 179.542 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 7.0 tp10 -60.08 -50.93 71.77 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.886 -0.597 . . . . 10.0 109.957 178.851 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 43' ' ' GLU . . . . . 0.516 ' HG3' ' O ' ' B' ' 39' ' ' GLU . 59.0 mt-10 -64.93 -38.45 91.02 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.044 -0.526 . . . . 10.0 110.54 -179.874 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 2.5 tp10 -62.91 -34.62 77.83 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.931 -0.577 . . . . 10.0 111.793 -179.563 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 45' ' ' SER . . . . . . . . . . . . . 3.2 p -92.48 -26.14 18.1 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 112.131 0.419 . . . . 10.0 112.131 -178.76 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.327 -0.373 0 CA-C-O 120.637 0.256 . . . . 10.0 111.359 179.946 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' C' C ' 3' ' ' GLU . . . . . . . . . . . . . 2.7 mp0 . . . . . 0 CA--C 1.528 0.112 0 CA-C-O 120.985 0.421 . . . . 10.0 111.625 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' C' C ' 4' ' ' ALA . . . . . . . . . . . . . . . -81.2 12.28 3.61 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 112.639 0.607 . . . . 10.0 112.639 -178.895 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 5' ' ' LEU . . . . . 0.456 HD13 ' SG ' ' B' ' 21' ' ' CYS . 78.2 mt -124.97 -22.64 4.42 Favored 'General case' 0 C--N 1.328 -0.363 0 C-N-CA 121.055 -0.258 . . . . 10.0 111.517 -179.404 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 6' ' ' LYS . . . . . . . . . . . . . 20.3 tptm -59.1 -48.14 82.68 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 111.789 0.292 . . . . 10.0 111.789 -178.91 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 7' ' ' ILE . . . . . 0.481 HD13 ' H ' ' C' ' 7' ' ' ILE . 0.3 OUTLIER -68.74 -16.36 20.82 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 116.402 -0.363 . . . . 10.0 111.832 -179.523 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' C' C ' 8' ' ' LEU . . . . . . . . . . . . . 3.1 mp -83.74 -17.5 41.01 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.988 0.423 . . . . 10.0 111.361 -179.514 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 9' ' ' ASN . . . . . . . . . . . . . 8.0 t-20 -85.5 -7.59 58.81 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.184 -0.462 . . . . 10.0 111.67 -178.525 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 10' ' ' ASN . . . . . 0.489 ' HB2' ' OG1' ' C' ' 13' ' ' THR . 84.8 m-20 -103.73 119.86 39.77 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 109.817 -0.438 . . . . 10.0 109.817 179.399 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 11' ' ' ILE . . . . . . . . . . . . . 12.2 tt -62.27 -27.22 42.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.673 0.273 . . . . 10.0 111.168 -179.213 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 12' ' ' ARG . . . . . . . . . . . . . 38.4 mmt180 -63.57 -53.56 49.78 Favored 'General case' 0 C--O 1.234 0.275 0 CA-C-N 116.588 -0.278 . . . . 10.0 110.542 179.689 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 13' ' ' THR . . . . . 0.489 ' OG1' ' HB2' ' C' ' 10' ' ' ASN . 0.7 OUTLIER -72.28 -37.47 69.03 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.345 -0.389 . . . . 10.0 111.092 179.901 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' C' C ' 14' ' ' LEU . . . . . . . . . . . . . 16.9 tp -59.83 -47.79 84.31 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.03 -0.532 . . . . 10.0 110.863 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 15' ' ' ARG . . . . . 0.416 HH11 ' HD2' ' C' ' 15' ' ' ARG . 36.6 ttm105 -68.46 -23.4 64.59 Favored 'General case' 0 CA--C 1.533 0.297 0 CA-C-O 121.08 0.467 . . . . 10.0 110.787 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 16' ' ' ALA . . . . . . . . . . . . . . . -80.04 -51.3 9.2 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.312 -0.404 . . . . 10.0 110.718 -179.874 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 17' ' ' GLN . . . . . . . . . . . . . 56.3 mt-30 -73.5 -9.89 59.15 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.29 -0.414 . . . . 10.0 111.701 -179.081 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 18' ' ' ALA . . . . . . . . . . . . . . . -74.58 -6.37 48.18 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.004 0.43 . . . . 10.0 110.532 178.945 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.64 -1.88 57.86 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.004 -0.543 . . . . 10.0 110.243 179.704 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 20' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -72.01 -29.82 64.59 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.85 -0.614 . . . . 10.0 110.787 -179.568 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 21' ' ' CYS . . . . . . . . . . . . . 72.9 m -135.1 160.15 39.27 Favored 'General case' 0 CA--C 1.51 -0.558 0 CA-C-O 121.572 0.701 . . . . 0.0 110.959 -179.806 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 22' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -78.04 168.84 19.26 Favored 'General case' 0 C--O 1.235 0.331 0 CA-C-N 115.445 -0.798 . . . . 10.0 111.079 179.144 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 23.7 tp -57.07 -27.88 62.09 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-N 116.334 -0.394 . . . . 10.0 111.319 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 24' ' ' GLU . . . . . . . . . . . . . 7.5 tp10 -52.86 -62.95 1.32 Allowed 'General case' 0 N--CA 1.463 0.187 0 CA-C-N 116.027 -0.533 . . . . 10.0 110.83 179.726 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 25' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -66.4 -35.89 81.47 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.317 -0.401 . . . . 10.0 111.236 -179.696 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 26' ' ' LEU . . . . . . . . . . . . . 34.8 mt -61.44 -42.3 98.54 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.106 -0.497 . . . . 10.0 111.264 -179.87 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 27' ' ' GLU . . . . . 0.418 ' CD ' HH21 ' B' ' 41' ' ' ARG . 12.1 tt0 -69.13 -46.85 66.61 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.497 -0.319 . . . . 10.0 111.447 -179.246 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 28' ' ' GLU . . . . . 0.431 ' O ' ' HG3' ' C' ' 32' ' ' LYS . 32.5 tt0 -59.08 -37.34 76.86 Favored 'General case' 0 N--CA 1.464 0.254 0 O-C-N 123.055 0.222 . . . . 10.0 111.096 -179.062 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 29' ' ' MET . . . . . . . . . . . . . 19.2 ptp -81.34 -29.53 34.09 Favored 'General case' 0 C--N 1.331 -0.236 0 C-N-CA 120.85 -0.34 . . . . 10.0 111.086 179.641 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 30' ' ' LEU . . . . . . . . . . . . . 11.0 tp -64.1 -47.06 81.49 Favored 'General case' 0 C--O 1.235 0.31 0 CA-C-O 120.952 0.406 . . . . 10.0 110.452 179.631 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 31' ' ' GLU . . . . . 0.468 ' HA ' ' OE2' ' C' ' 34' ' ' GLU . 38.3 mt-10 -64.13 -22.19 66.84 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.448 -0.796 . . . . 10.0 111.062 -179.626 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 32' ' ' LYS . . . . . 0.431 ' HG3' ' O ' ' C' ' 28' ' ' GLU . 93.3 mttt -82.06 -28.68 32.29 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.112 0.482 . . . . 10.0 110.744 179.188 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 33' ' ' LEU . . . . . . . . . . . . . 22.9 tp -77.83 -43.67 29.7 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 116.225 -0.443 . . . . 10.0 112.155 -178.653 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 34' ' ' GLU . . . . . 0.468 ' OE2' ' HA ' ' C' ' 31' ' ' GLU . 13.2 pt-20 -58.93 -35.11 72.55 Favored 'General case' 0 C--N 1.33 -0.26 0 N-CA-C 112.335 0.494 . . . . 10.0 112.335 -178.303 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 35' ' ' VAL . . . . . . . . . . . . . 27.7 m -72.52 -32.08 40.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 C-N-CA 120.464 -0.494 . . . . 10.0 110.835 179.556 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 36' ' ' VAL . . . . . . . . . . . . . 42.0 t -66.96 -44.22 88.73 Favored 'Isoleucine or valine' 0 C--O 1.235 0.291 0 CA-C-O 121.103 0.477 . . . . 10.0 110.229 179.533 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 37' ' ' VAL . . . . . . . . . . . . . 59.0 t -59.92 -37.28 71.46 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 115.734 -0.666 . . . . 10.0 109.909 179.128 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 38' ' ' ASN . . . . . 0.457 ' O ' ' HG3' ' C' ' 42' ' ' GLU . 2.4 t30 -63.14 -40.14 96.72 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.025 -0.534 . . . . 10.0 110.858 179.628 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 39' ' ' GLU . . . . . 0.53 ' O ' ' HG3' ' C' ' 43' ' ' GLU . 2.9 mt-10 -61.99 -43.77 98.14 Favored 'General case' 0 CA--C 1.521 -0.156 0 N-CA-C 109.335 -0.617 . . . . 10.0 109.335 178.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 40' ' ' ARG . . . . . 0.596 ' HD2' ' OE1' ' C' ' 43' ' ' GLU . 8.3 mmm180 -63.94 -34.37 77.82 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.682 -0.69 . . . . 10.0 109.612 178.963 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 41' ' ' ARG . . . . . 0.612 ' HD2' HD21 ' B' ' 23' ' ' LEU . 11.3 mmm180 -62.83 -46.49 87.71 Favored 'General case' 0 C--N 1.332 -0.167 0 N-CA-C 109.269 -0.641 . . . . 10.0 109.269 178.268 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 42' ' ' GLU . . . . . 0.457 ' HG3' ' O ' ' C' ' 38' ' ' ASN . 44.4 mt-10 -58.95 -36.05 74.17 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.549 -0.75 . . . . 10.0 111.05 -179.867 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 43' ' ' GLU . . . . . 0.596 ' OE1' ' HD2' ' C' ' 40' ' ' ARG . 46.2 mt-10 -72.01 -47.01 54.98 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.78 0.324 . . . . 10.0 110.749 179.914 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 44' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -66.53 -25.78 66.84 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.078 -0.51 . . . . 10.0 111.082 -179.58 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 45' ' ' SER . . . . . . . . . . . . . 50.1 m -82.39 -22.72 35.29 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.923 0.392 . . . . 10.0 110.536 178.495 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 46' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.447 0 CA-C-N 116.346 -0.388 . . . . 10.0 111.717 -179.443 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 5.0 mp . . . . . 0 N--CA 1.481 1.092 0 N-CA-C 109.807 -0.442 . . . . 10.0 109.807 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -72.95 147.57 45.11 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 120.658 0.266 . . . . 10.0 111.529 -179.507 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.444 ' HD2' ' HB2' ' A' ' 45' ' ' SER . 29.2 pttt -64.46 -27.62 69.11 Favored 'General case' 0 CA--C 1.531 0.226 0 CA-C-O 121.046 0.45 . . . . 10.0 110.488 179.528 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -67.82 -29.45 68.61 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.829 -0.623 . . . . 10.0 111.291 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -63.98 -52.21 60.66 Favored 'General case' 0 CA--C 1.52 -0.2 0 CA-C-O 121.121 0.486 . . . . 10.0 109.864 179.878 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.422 ' HB2' ' CB ' ' A' ' 46' ' ' ALA . 6.8 m-85 -63.11 -39.47 94.77 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.612 -0.722 . . . . 10.0 109.908 179.852 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 40.9 tp -57.82 -46.49 84.62 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.766 -0.652 . . . . 10.0 110.88 179.768 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 38.8 mmm -65.52 -38.34 89.38 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.214 -0.448 . . . . 10.0 111.133 -179.751 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.27 -35.92 81.65 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.277 -0.42 . . . . 10.0 110.285 179.316 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.403 ' HG ' ' O ' ' A' ' 11' ' ' TYR . 92.6 mt -80.32 -9.46 59.74 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.018 -0.537 . . . . 10.0 111.429 -179.661 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -72.4 -12.56 61.16 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.449 -0.341 . . . . 10.0 110.549 179.661 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 84.3 mtm-85 -86.58 -7.03 58.7 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.297 -0.411 . . . . 10.0 111.219 -179.866 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 3.9 m -102.71 135.03 45.1 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.421 -0.354 . . . . 10.0 110.43 -179.825 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' GLN . . . . . 0.426 ' HA ' HD11 ' A' ' 54' ' ' LEU . 1.2 mm-40 -131.24 178.46 6.68 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.352 -0.385 . . . . 10.0 110.529 -179.909 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 20' ' ' THR . . . . . 0.424 ' C ' ' H ' ' A' ' 22' ' ' ASP . 2.1 m 68.31 -5.15 0.95 Allowed 'General case' 0 CA--C 1.539 0.523 0 CA-C-N 115.597 -0.728 . . . . 10.0 112.35 179.299 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.415 HD11 ' HA ' ' A' ' 55' ' ' THR . 68.1 mt 73.29 -37.34 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.47 0.544 0 C-N-CA 123.308 0.643 . . . . 10.0 111.267 -179.578 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 22' ' ' ASP . . . . . 0.424 ' H ' ' C ' ' A' ' 20' ' ' THR . 7.5 t70 -49.13 -50.98 34.88 Favored 'General case' 0 N--CA 1.465 0.29 0 C-N-CA 123.438 0.695 . . . . 10.0 111.648 179.332 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 2.2 m -67.54 -34.41 77.03 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.027 -0.533 . . . . 10.0 111.45 -179.884 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.51 ' O ' HG12 ' A' ' 27' ' ' VAL . 31.3 tp -69.5 -42.77 74.29 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.296 -0.411 . . . . 10.0 111.062 -179.344 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 7.8 tp10 -56.27 -47.78 77.91 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.181 0.515 . . . . 10.0 110.788 179.819 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 2.9 mtm105 -75.21 -28.96 60.16 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.148 -0.478 . . . . 10.0 111.838 -179.18 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.51 HG12 ' O ' ' A' ' 24' ' ' LEU . 0.7 OUTLIER -71.74 -38.22 65.33 Favored 'Isoleucine or valine' 0 C--O 1.234 0.262 0 C-N-CA 120.879 -0.328 . . . . 10.0 111.084 -179.196 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.427 HG12 ' O ' ' A' ' 24' ' ' LEU . 45.7 pt -79.1 -28.81 13.7 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.191 0 CA-C-O 120.849 0.357 . . . . 10.0 110.148 179.504 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 13.0 tp10 -70.82 -43.46 68.56 Favored 'General case' 0 N--CA 1.452 -0.346 0 CA-C-N 115.917 -0.583 . . . . 10.0 109.97 179.526 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 27.2 mttp -64.26 -39.73 94.55 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.988 -0.551 . . . . 10.0 110.879 179.425 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 9.9 m120 -75.15 -21.64 58.66 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.356 -0.384 . . . . 10.0 110.938 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 32.8 ttmt -59.35 -33.5 71.23 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.392 -0.367 . . . . 10.0 111.306 -179.623 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 3.8 m-85 -94.76 8.54 42.2 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.777 0.323 . . . . 10.0 110.744 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 59.7 mt-10 -116.27 -24.76 7.81 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.94 0.4 . . . . 10.0 111.052 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 14.7 mt -68.61 155.3 40.27 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.871 -0.604 . . . . 10.0 110.61 179.83 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' SER . . . . . 0.547 ' HB2' ' OD1' ' A' ' 38' ' ' ASN . 0.7 OUTLIER -101.13 15.7 27.87 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 115.952 -0.567 . . . . 10.0 110.531 -178.834 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 37' ' ' ASP . . . . . 0.468 ' HB2' ' O ' ' A' ' 36' ' ' SER . 98.5 m-20 76.54 -38.96 0.34 Allowed 'General case' 0 C--O 1.257 1.459 0 C-N-CA 124.546 1.138 . . . . 0.0 111.0 177.922 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 38' ' ' ASN . . . . . 0.547 ' OD1' ' HB2' ' A' ' 36' ' ' SER . 23.5 p-10 -65.53 -33.66 76.44 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 121.027 -1.046 . . . . 10.0 111.68 -179.007 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -93.13 -18.47 22.55 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 109.34 -0.615 . . . . 10.0 109.34 178.743 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 47.0 tp -63.52 -32.4 73.84 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.387 -0.824 . . . . 10.0 110.323 179.771 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -58.06 -44.89 87.73 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 115.767 -0.652 . . . . 10.0 111.515 -179.922 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 31.6 m -87.66 -14.68 9.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.624 0.25 . . . . 10.0 111.143 -179.922 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 59.7 t80 -68.74 -30.63 69.29 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 109.582 -0.525 . . . . 10.0 109.582 178.916 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 11.8 m-85 -62.2 -37.83 86.83 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.711 -0.677 . . . . 10.0 110.711 179.224 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' SER . . . . . 0.474 ' O ' ' HB2' ' A' ' 49' ' ' HIS . 0.0 OUTLIER -64.82 -14.18 58.36 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.074 -0.512 . . . . 10.0 111.224 -179.848 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.422 ' CB ' ' HB2' ' A' ' 11' ' ' TYR . . . -103.6 -44.36 5.12 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 109.765 -0.458 . . . . 10.0 109.765 178.893 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -62.72 -55.69 24.36 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.847 -0.615 . . . . 10.0 110.958 179.814 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' ASP . . . . . 0.404 ' HB3' ' CH2' ' A' ' 68' ' ' TRP . 0.8 OUTLIER -60.24 -44.98 94.76 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 121.063 0.459 . . . . 10.0 110.129 179.69 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 49' ' ' HIS . . . . . 0.474 ' HB2' ' O ' ' A' ' 45' ' ' SER . 3.5 t60 -57.73 -47.66 81.81 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.905 -0.589 . . . . 10.0 110.882 -179.751 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 31.6 tpt180 -68.93 -40.55 78.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.329 -0.396 . . . . 10.0 110.733 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 22.4 tp -60.25 -41.8 93.98 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.8 0.333 . . . . 10.0 110.811 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.478 ' HA ' HD11 ' A' ' 71' ' ' ILE . . . -61.07 -53.11 61.22 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.197 -0.456 . . . . 10.0 111.705 -179.766 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 20.9 pt-20 -67.95 -31.24 70.84 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.242 -0.435 . . . . 10.0 110.874 -179.315 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.426 HD11 ' HA ' ' A' ' 19' ' ' GLN . 16.6 tp -69.86 -38.32 76.38 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.063 -0.517 . . . . 10.0 111.038 -179.754 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 55' ' ' THR . . . . . 0.415 ' HA ' HD11 ' A' ' 21' ' ' ILE . 48.1 m -65.67 -39.52 91.41 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.064 0.459 . . . . 10.0 110.419 179.708 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 60.9 mmm -83.59 -7.11 59.58 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.124 -0.489 . . . . 10.0 110.32 179.51 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 33.9 t30 58.4 30.36 19.52 Favored 'General case' 0 N--CA 1.461 0.121 0 CA-C-N 115.42 -0.809 . . . . 10.0 110.228 -179.616 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -142.89 123.29 13.9 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.44 -0.8 . . . . 10.0 110.046 -179.216 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 8.5 mp -70.56 133.48 46.79 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.494 -0.321 . . . . 10.0 110.554 -179.803 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 40.3 m-85 -139.09 127.35 22.69 Favored 'General case' 0 C--O 1.238 0.474 0 CA-C-O 120.906 0.384 . . . . 10.0 110.552 -179.741 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 19.2 p-10 -65.69 -42.06 91.68 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.138 -0.483 . . . . 10.0 109.971 179.608 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 38.0 mttp -114.92 113.91 24.79 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 109.154 -0.684 . . . . 10.0 109.154 178.276 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.423 ' HA ' ' HD3' ' A' ' 64' ' ' PRO . 45.6 mm -76.96 131.71 72.6 Favored Pre-proline 0 C--N 1.319 -0.732 0 CA-C-N 115.855 -0.611 . . . . 10.0 111.678 -178.492 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 64' ' ' PRO . . . . . 0.423 ' HD3' ' HA ' ' A' ' 63' ' ' ILE . 10.4 Cg_exo -70.55 137.76 33.84 Favored 'Trans proline' 0 C--N 1.349 0.599 0 C-N-CA 122.552 2.168 . . . . 10.0 111.347 178.44 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -71.36 6.77 1.59 Allowed 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 112.961 0.726 . . . . 10.0 112.961 -178.132 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 88.6 p -117.88 -7.12 10.97 Favored 'General case' 0 C--O 1.245 0.855 0 O-C-N 121.689 -0.632 . . . . 0.0 110.987 -179.865 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 5.1 p -73.93 -20.68 17.82 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.776 0 CA-C-O 121.053 0.454 . . . . 10.0 111.532 -178.05 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 68' ' ' TRP . . . . . 0.688 ' HB2' HG21 ' C' ' 35' ' ' VAL . 63.0 m95 -65.67 -17.09 64.35 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.003 -0.544 . . . . 10.0 111.397 -179.278 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 2.2 tppp? -73.27 -18.16 61.25 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.011 0.434 . . . . 10.0 110.722 179.534 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 81.1 m-85 -99.95 9.72 42.47 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.467 -0.333 . . . . 10.0 111.133 -179.41 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.478 HD11 ' HA ' ' A' ' 52' ' ' ALA . 13.2 mt -122.47 138.49 52.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-O 120.577 0.227 . . . . 10.0 110.958 -179.024 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 19.8 mtp85 . . . . . 0 C--O 1.249 1.031 0 CA-C-O 118.511 -0.756 . . . . 10.0 110.135 179.865 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 3' ' ' GLU . . . . . 0.419 ' O ' ' HB3' ' B' ' 6' ' ' LYS . 0.1 OUTLIER . . . . . 0 N--CA 1.456 -0.13 0 CA-C-O 120.855 0.36 . . . . 10.0 110.956 . . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . -62.58 -36.95 84.33 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.01 0.433 . . . . 10.0 111.289 -179.92 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 8.6 mp -74.66 -12.01 60.33 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.084 -0.507 . . . . 10.0 111.338 -179.411 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 6' ' ' LYS . . . . . 0.419 ' HB3' ' O ' ' B' ' 3' ' ' GLU . 27.7 ttpt -68.4 -42.02 79.63 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.963 0.411 . . . . 10.0 110.79 179.879 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 7' ' ' ILE . . . . . . . . . . . . . 22.1 pt -89.98 -7.58 10.78 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 CA-C-N 116.262 -0.426 . . . . 10.0 111.53 -179.062 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 9.8 tp -84.83 -5.15 59.33 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.27 0.557 . . . . 10.0 110.148 -179.908 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 9' ' ' ASN . . . . . . . . . . . . . 53.5 t30 -95.13 -6.54 41.62 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.836 -0.62 . . . . 10.0 111.372 -179.331 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 10' ' ' ASN . . . . . . . . . . . . . 23.0 t-20 -126.93 121.16 30.97 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.979 0.419 . . . . 10.0 111.09 -179.427 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 3.4 pt -63.52 -37.55 79.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 N-CA-C 113.057 0.762 . . . . 10.0 113.057 -178.56 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 12' ' ' ARG . . . . . . . . . . . . . 17.6 mtt180 -62.5 -44.29 96.73 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 112.123 0.416 . . . . 10.0 112.123 -178.035 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 13' ' ' THR . . . . . . . . . . . . . 22.8 m -76.35 -39.61 53.43 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 120.95 0.405 . . . . 10.0 110.822 179.875 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 31.6 tp -63.04 -36.78 84.69 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.92 -0.582 . . . . 10.0 110.919 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 40.6 mtt180 -53.48 -47.58 69.68 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.1 -0.5 . . . . 10.0 111.313 179.904 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 16' ' ' ALA . . . . . . . . . . . . . . . -59.81 -43.25 94.57 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.064 -0.516 . . . . 10.0 112.228 -178.794 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 17' ' ' GLN . . . . . . . . . . . . . 1.3 mp0 -72.04 -25.11 61.66 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 116.413 -0.358 . . . . 10.0 111.351 -179.317 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -79.46 -7.92 58.76 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.464 -0.334 . . . . 10.0 111.259 179.791 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 15.4 mmm180 -79.73 -11.54 59.84 Favored 'General case' 0 C--N 1.327 -0.383 0 C-N-CA 121.085 -0.246 . . . . 10.0 111.011 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 1.5 pt-20 -94.05 -2.48 52.84 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-O 120.935 0.397 . . . . 10.0 111.143 -179.709 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 21' ' ' CYS . . . . . 1.66 ' SG ' ' HB ' ' B' ' 25' ' ' THR . 53.8 t -117.31 147.09 42.9 Favored 'General case' 0 CA--C 1.51 -0.563 0 CA-C-O 120.764 0.316 . . . . 0.0 111.008 178.592 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -81.5 171.08 15.12 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.406 -0.361 . . . . 10.0 110.306 179.09 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 31.5 tp -55.51 -44.45 76.63 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.372 -0.376 . . . . 10.0 111.552 -179.76 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -59.84 -48.58 81.12 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.818 0.342 . . . . 10.0 111.74 -179.86 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 25' ' ' THR . . . . . 1.66 ' HB ' ' SG ' ' B' ' 21' ' ' CYS . 0.2 OUTLIER -61.64 -42.69 99.25 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 121.009 0.433 . . . . 10.0 111.543 -179.542 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 26' ' ' LEU . . . . . 0.433 ' O ' ' HG3' ' B' ' 29' ' ' MET . 86.5 mt -65.43 -44.4 87.45 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.091 -0.504 . . . . 10.0 111.009 -179.678 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 27' ' ' GLU . . . . . 0.58 ' O ' ' HG3' ' B' ' 31' ' ' GLU . 6.7 mt-10 -64.56 -44.31 91.15 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.373 -0.376 . . . . 10.0 111.097 179.794 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 5.7 tt0 -56.99 -48.42 78.49 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.275 -0.421 . . . . 10.0 111.699 -178.928 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 29' ' ' MET . . . . . 0.433 ' HG3' ' O ' ' B' ' 26' ' ' LEU . 2.2 ppp? -72.97 -30.7 64.03 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.561 -0.29 . . . . 10.0 111.351 -179.231 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 66.3 tp -62.08 -45.32 94.04 Favored 'General case' 0 C--O 1.234 0.251 0 CA-C-O 120.948 0.404 . . . . 10.0 110.447 179.649 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 31' ' ' GLU . . . . . 0.58 ' HG3' ' O ' ' B' ' 27' ' ' GLU . 24.7 mt-10 -66.55 -32.13 73.29 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.877 -0.602 . . . . 10.0 110.721 -179.74 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 32' ' ' LYS . . . . . 0.566 ' O ' HG22 ' B' ' 35' ' ' VAL . 48.7 mttt -70.92 -37.22 72.9 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.903 0.382 . . . . 10.0 110.758 179.436 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 33' ' ' LEU . . . . . 0.416 ' O ' HG23 ' B' ' 37' ' ' VAL . 48.5 tp -71.77 -38.55 70.33 Favored 'General case' 0 C--N 1.322 -0.591 0 C-N-CA 120.89 -0.324 . . . . 10.0 110.807 179.809 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 34' ' ' GLU . . . . . 0.545 ' HG3' ' N ' ' B' ' 35' ' ' VAL . 0.1 OUTLIER -63.79 -35.26 80.02 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.403 -0.362 . . . . 10.0 111.463 -178.891 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 35' ' ' VAL . . . . . 0.577 HG13 ' O ' ' B' ' 31' ' ' GLU . 13.6 m -69.08 -34.16 62.27 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.175 0 C-N-CA 120.339 -0.544 . . . . 10.0 110.368 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 96.0 t -68.56 -42.08 83.34 Favored 'Isoleucine or valine' 0 C--O 1.232 0.149 0 N-CA-C 109.626 -0.509 . . . . 10.0 109.626 178.835 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 37' ' ' VAL . . . . . 0.416 HG23 ' O ' ' B' ' 33' ' ' LEU . 71.4 t -63.98 -36.93 78.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 N-CA-C 108.891 -0.781 . . . . 10.0 108.891 178.221 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -66.13 -37.48 85.81 Favored 'General case' 0 C--O 1.236 0.346 0 CA-C-N 115.445 -0.798 . . . . 10.0 109.825 178.317 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 39' ' ' GLU . . . . . 0.42 ' HG3' ' O ' ' B' ' 35' ' ' VAL . 89.0 mt-10 -63.85 -47.3 81.29 Favored 'General case' 0 CA--C 1.521 -0.155 0 CA-C-N 115.98 -0.555 . . . . 10.0 109.863 179.026 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 40' ' ' ARG . . . . . 0.495 HH22 ' HA ' ' C' ' 22' ' ' THR . 36.5 mmm-85 -62.79 -42.61 99.78 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.886 -0.597 . . . . 10.0 110.135 178.765 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 41' ' ' ARG . . . . . . . . . . . . . 52.7 mtt180 -56.0 -41.92 75.6 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.197 -0.456 . . . . 10.0 110.256 179.135 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 8.4 tp10 -66.39 -41.22 89.67 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.787 -0.642 . . . . 10.0 110.794 -179.809 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 27.3 mt-10 -66.37 -47.28 73.89 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.283 -0.417 . . . . 10.0 111.189 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -68.22 -31.92 71.76 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 113.228 0.825 . . . . 10.0 113.228 -178.609 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 45' ' ' SER . . . . . . . . . . . . . 10.2 p -75.76 -38.71 58.14 Favored 'General case' 0 C--N 1.324 -0.503 0 C-N-CA 120.668 -0.413 . . . . 10.0 111.073 -179.599 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.435 0 CA-C-O 121.027 0.441 . . . . 10.0 111.342 -179.931 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' C' C ' 3' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.235 0.304 0 CA-C-O 121.043 0.449 . . . . 10.0 111.058 . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 4' ' ' ALA . . . . . . . . . . . . . . . -61.98 -36.81 82.58 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.642 -0.708 . . . . 10.0 112.206 -179.171 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 5' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -74.01 -15.03 61.1 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.342 -0.39 . . . . 10.0 111.403 -179.265 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 6' ' ' LYS . . . . . . . . . . . . . 21.6 tptm -82.23 -49.57 9.94 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.712 0.292 . . . . 10.0 111.267 -179.267 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 7' ' ' ILE . . . . . . . . . . . . . 10.3 pt -65.24 -27.17 41.41 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 116.503 -0.317 . . . . 10.0 111.658 -179.236 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 8' ' ' LEU . . . . . . . . . . . . . 3.1 mp -78.81 -7.0 57.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.237 -0.438 . . . . 10.0 111.698 -179.433 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 9' ' ' ASN . . . . . . . . . . . . . 17.3 t-20 -88.38 -10.56 48.94 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.235 0.541 . . . . 10.0 110.272 179.911 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 10' ' ' ASN . . . . . . . . . . . . . 66.6 m-20 -101.71 125.41 48.37 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.888 -0.596 . . . . 10.0 109.938 -179.711 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 11' ' ' ILE . . . . . . . . . . . . . 9.8 tp -61.35 -28.07 43.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-N 116.039 -0.528 . . . . 10.0 111.677 -179.174 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 12' ' ' ARG . . . . . . . . . . . . . 38.0 mmt180 -64.68 -55.27 21.1 Favored 'General case' 0 C--O 1.233 0.22 0 CA-C-O 120.725 0.298 . . . . 10.0 111.21 -179.915 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 13' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -70.96 -34.21 71.21 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.446 -0.343 . . . . 10.0 111.704 -179.543 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 14' ' ' LEU . . . . . . . . . . . . . 13.3 tp -58.36 -50.94 71.85 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.096 -0.502 . . . . 10.0 110.779 -179.63 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 15' ' ' ARG . . . . . 0.415 HH11 ' HD2' ' C' ' 15' ' ' ARG . 44.4 ttm180 -68.26 -24.78 64.93 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.886 -0.597 . . . . 10.0 110.715 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 16' ' ' ALA . . . . . . . . . . . . . . . -75.12 -45.74 39.07 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.322 -0.399 . . . . 10.0 111.467 -179.8 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 17' ' ' GLN . . . . . . . . . . . . . 34.5 mt-30 -72.42 -28.09 62.75 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.789 0.328 . . . . 10.0 111.036 -179.881 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 18' ' ' ALA . . . . . . . . . . . . . . . -70.48 -7.67 45.2 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.871 0.367 . . . . 10.0 111.562 -179.89 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 19' ' ' ARG . . . . . . . . . . . . . 48.6 ttm-85 -87.27 -10.82 51.39 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.967 0.413 . . . . 10.0 110.424 179.877 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 20' ' ' GLU . . . . . . . . . . . . . 84.8 mt-10 -78.64 -38.69 39.07 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.049 -0.523 . . . . 10.0 111.011 -179.646 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 21' ' ' CYS . . . . . . . . . . . . . 72.2 m -103.65 164.2 11.82 Favored 'General case' 0 CA--C 1.51 -0.562 0 CA-C-O 121.838 0.828 . . . . 0.0 111.04 -179.647 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 22' ' ' THR . . . . . 0.495 ' HA ' HH22 ' B' ' 40' ' ' ARG . 0.9 OUTLIER -90.05 170.39 10.38 Favored 'General case' 0 N--CA 1.446 -0.627 0 CA-C-N 115.055 -0.975 . . . . 10.0 110.541 179.175 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 49.5 tp -59.36 -30.39 68.36 Favored 'General case' 0 C--N 1.333 -0.125 0 N-CA-C 109.801 -0.444 . . . . 10.0 109.801 179.447 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 24' ' ' GLU . . . . . . . . . . . . . 4.3 tp10 -54.41 -56.17 21.34 Favored 'General case' 0 CA--C 1.532 0.283 0 CA-C-N 115.517 -0.765 . . . . 10.0 110.578 178.72 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 25' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -69.6 -39.32 77.31 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.289 -0.414 . . . . 10.0 111.379 -179.71 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 26' ' ' LEU . . . . . . . . . . . . . 98.8 mt -61.1 -43.04 99.5 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.14 -0.482 . . . . 10.0 111.524 -179.455 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 27' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -65.68 -44.28 86.71 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.516 -0.311 . . . . 10.0 111.669 -179.466 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 28' ' ' GLU . . . . . . . . . . . . . 19.8 tt0 -74.47 -8.88 57.77 Favored 'General case' 0 CA--C 1.536 0.431 0 N-CA-C 111.984 0.365 . . . . 10.0 111.984 -178.443 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 29' ' ' MET . . . . . . . . . . . . . 14.7 ptp -106.04 -27.01 11.4 Favored 'General case' 0 C--N 1.328 -0.337 0 O-C-N 121.863 -0.523 . . . . 10.0 110.273 178.591 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 30' ' ' LEU . . . . . . . . . . . . . 37.9 tp -63.05 -40.3 97.31 Favored 'General case' 0 C--O 1.234 0.239 0 CA-C-O 121.117 0.484 . . . . 10.0 109.869 179.01 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 31' ' ' GLU . . . . . 0.55 ' HA ' ' HG2' ' C' ' 34' ' ' GLU . 11.8 pt-20 -64.97 -29.8 70.75 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.437 -0.802 . . . . 10.0 111.163 -179.933 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 32' ' ' LYS . . . . . . . . . . . . . 22.3 mmtp -69.22 -34.01 74.19 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.05 -0.523 . . . . 10.0 110.504 -179.681 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 33' ' ' LEU . . . . . 0.419 ' O ' HG23 ' C' ' 37' ' ' VAL . 63.7 tp -83.1 -45.36 14.07 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 112.165 0.432 . . . . 10.0 112.165 -178.933 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 34' ' ' GLU . . . . . 0.55 ' HG2' ' HA ' ' C' ' 31' ' ' GLU . 7.7 pt-20 -60.01 -33.59 72.2 Favored 'General case' 0 C--O 1.234 0.257 0 C-N-CA 120.819 -0.352 . . . . 10.0 111.701 -178.54 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 35' ' ' VAL . . . . . 0.688 HG21 ' HB2' ' A' ' 68' ' ' TRP . 9.9 p -72.54 -40.09 62.54 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.459 0 C-N-CA 120.646 -0.422 . . . . 10.0 110.7 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 36' ' ' VAL . . . . . . . . . . . . . 40.8 t -61.97 -42.44 94.8 Favored 'Isoleucine or valine' 0 C--O 1.233 0.195 0 CA-C-O 120.962 0.411 . . . . 10.0 110.423 -179.83 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 37' ' ' VAL . . . . . 0.419 HG23 ' O ' ' C' ' 33' ' ' LEU . 46.2 t -64.01 -37.99 81.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 N-CA-C 109.654 -0.499 . . . . 10.0 109.654 179.121 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 38' ' ' ASN . . . . . 0.466 ' O ' ' HB2' ' C' ' 41' ' ' ARG . 1.7 m-20 -65.56 -32.2 73.66 Favored 'General case' 0 C--O 1.233 0.217 0 CA-C-N 115.708 -0.678 . . . . 10.0 110.516 179.356 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 39' ' ' GLU . . . . . 0.621 ' HG3' ' O ' ' C' ' 35' ' ' VAL . 34.9 mt-10 -67.61 -44.71 77.4 Favored 'General case' 0 C--O 1.234 0.275 0 N-CA-C 109.243 -0.651 . . . . 10.0 109.243 178.469 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 40' ' ' ARG . . . . . . . . . . . . . 8.7 mmm180 -64.04 -31.27 72.4 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.166 -0.925 . . . . 10.0 110.473 179.534 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 41' ' ' ARG . . . . . 0.466 ' HB2' ' O ' ' C' ' 38' ' ' ASN . 7.1 mmm180 -55.85 -55.22 35.15 Favored 'General case' 0 C--O 1.234 0.266 0 CA-C-N 115.685 -0.689 . . . . 10.0 110.466 178.925 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 42' ' ' GLU . . . . . . . . . . . . . 91.0 mt-10 -66.8 -38.86 87.33 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.429 -0.805 . . . . 10.0 111.215 -179.193 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 43' ' ' GLU . . . . . . . . . . . . . 28.7 mt-10 -59.17 -43.81 92.14 Favored 'General case' 0 N--CA 1.463 0.213 0 CA-C-O 121.037 0.446 . . . . 10.0 110.908 179.321 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 44' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -72.2 -40.82 67.58 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.747 -0.66 . . . . 10.0 111.806 -179.048 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 45' ' ' SER . . . . . . . . . . . . . 12.0 m -71.01 -30.26 66.43 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 111.787 0.291 . . . . 10.0 111.787 -178.942 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 46' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.331 -0.224 0 N-CA-C 111.68 0.252 . . . . 10.0 111.68 -179.539 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.481 1.119 0 CA-C-O 120.702 0.286 . . . . 10.0 110.313 . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -88.59 152.88 21.55 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.441 -0.345 . . . . 10.0 110.338 179.891 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 15.9 tttt -61.13 -30.15 70.2 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.919 -0.582 . . . . 10.0 109.924 178.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -72.47 -33.56 67.09 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.694 -0.685 . . . . 10.0 111.596 179.521 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 65.3 m-20 -60.69 -53.45 57.24 Favored 'General case' 0 N--CA 1.465 0.278 0 CA-C-N 116.314 -0.403 . . . . 10.0 110.933 -178.807 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 24.7 m-85 -67.91 -33.69 75.19 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.14 -0.482 . . . . 10.0 110.33 -179.833 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 15.4 tp -60.08 -50.36 74.0 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.249 -0.432 . . . . 10.0 110.424 179.508 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -62.24 -38.77 90.51 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.986 0.422 . . . . 10.0 110.706 179.902 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.79 -40.59 95.74 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.87 -0.604 . . . . 10.0 110.766 179.625 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 84.6 mt -84.67 -12.9 52.97 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.205 -0.452 . . . . 10.0 111.512 -179.073 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.537 ' HA ' ' NE ' ' A' ' 50' ' ' ARG . 42.5 mtt180 -77.89 -14.36 59.58 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.934 0.397 . . . . 10.0 110.789 179.781 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 93.9 mtm-85 -83.92 -8.27 59.22 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.366 0.603 . . . . 10.0 109.943 179.092 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 56.7 m -106.51 130.33 54.31 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.58 -0.736 . . . . 10.0 110.047 179.646 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 10.6 mm-40 -119.66 -159.52 0.78 Allowed 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.69 0.281 . . . . 10.0 110.418 -179.437 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' THR . . . . . 0.423 ' O ' ' HB ' ' A' ' 21' ' ' ILE . 2.1 m 71.29 -11.12 0.72 Allowed 'General case' 0 N--CA 1.468 0.463 0 N-CA-C 113.146 0.795 . . . . 10.0 113.146 178.324 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.423 ' HB ' ' O ' ' A' ' 20' ' ' THR . 65.2 mt 72.26 -58.96 0.28 Allowed 'Isoleucine or valine' 0 N--CA 1.47 0.556 0 C-N-CA 122.713 0.405 . . . . 10.0 111.039 -179.824 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 17.9 t70 -56.95 -44.18 82.31 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.123 -0.49 . . . . 10.0 110.646 179.652 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 4.6 m -58.82 -38.98 79.87 Favored 'General case' 0 CA--C 1.532 0.278 0 CA-C-N 115.871 -0.604 . . . . 10.0 110.765 179.303 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.446 ' HA ' HG12 ' A' ' 27' ' ' VAL . 18.5 tp -66.22 -44.41 83.9 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.249 -0.432 . . . . 10.0 110.02 179.21 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 25' ' ' GLU . . . . . 0.434 ' O ' ' HB2' ' A' ' 29' ' ' GLU . 6.8 tp10 -60.27 -30.59 69.55 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.321 0.581 . . . . 10.0 110.874 179.635 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 79.1 mtp180 -82.71 -35.7 26.51 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.928 -0.578 . . . . 10.0 111.946 -179.168 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.446 HG12 ' HA ' ' A' ' 24' ' ' LEU . 7.2 p -73.46 -37.11 49.97 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 C-N-CA 120.643 -0.423 . . . . 10.0 110.979 -179.514 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.428 HG12 ' O ' ' A' ' 24' ' ' LEU . 44.5 pt -73.04 -30.04 30.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-O 121.049 0.452 . . . . 10.0 110.018 179.333 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 29' ' ' GLU . . . . . 0.434 ' HB2' ' O ' ' A' ' 25' ' ' GLU . 22.8 tp10 -62.69 -52.47 63.17 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.779 -0.646 . . . . 10.0 110.302 179.656 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 27.3 mttp -65.49 -39.76 92.3 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.042 -0.526 . . . . 10.0 110.899 179.6 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' ASN . . . . . 0.497 ' O ' ' HG ' ' A' ' 35' ' ' LEU . 2.2 t30 -58.63 -37.07 75.12 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.739 -0.664 . . . . 10.0 111.772 -179.053 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 41.2 mtmt -64.02 -29.43 70.58 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.694 -0.23 . . . . 10.0 111.6 -179.491 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 8.8 m-85 -79.9 -18.23 51.1 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.06 0.457 . . . . 10.0 110.794 -179.48 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 74.8 mt-10 -97.09 -28.52 14.09 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.893 -0.594 . . . . 10.0 112.562 -178.534 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.497 ' HG ' ' O ' ' A' ' 31' ' ' ASN . 90.0 mt -63.27 159.97 16.77 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.204 0.526 . . . . 10.0 112.073 -179.13 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 36' ' ' SER . . . . . 0.521 ' O ' ' HB2' ' A' ' 37' ' ' ASP . 13.2 m -87.43 1.53 53.15 Favored 'General case' 0 N--CA 1.453 -0.314 0 CA-C-N 115.718 -0.674 . . . . 10.0 111.153 -179.407 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 37' ' ' ASP . . . . . 0.521 ' HB2' ' O ' ' A' ' 36' ' ' SER . 98.5 m-20 80.8 -26.95 0.14 Allowed 'General case' 0 C--O 1.254 1.325 0 C-N-CA 125.161 1.384 . . . . 0.0 111.041 177.339 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 38' ' ' ASN . . . . . 0.487 ' OD1' ' HB2' ' A' ' 36' ' ' SER . 4.1 p-10 -74.38 -22.85 58.99 Favored 'General case' 0 C--N 1.322 -0.589 0 O-C-N 121.061 -1.024 . . . . 10.0 111.597 -179.353 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -105.78 -2.7 22.88 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.108 0.48 . . . . 10.0 110.386 -179.942 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 46.3 tp -57.65 -33.36 68.22 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.419 -0.81 . . . . 10.0 111.21 -179.468 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -60.69 -40.59 92.77 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.118 0.485 . . . . 10.0 111.236 179.892 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 3.2 t -72.58 -42.03 63.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.079 -0.51 . . . . 10.0 110.16 -179.818 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 63.1 t80 -62.75 -43.77 97.94 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.492 -0.777 . . . . 10.0 110.685 179.777 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -60.77 -41.8 96.2 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.973 -0.558 . . . . 10.0 110.978 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 23.2 m -61.51 -42.06 98.24 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.983 -0.553 . . . . 10.0 111.465 -179.245 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -71.75 -43.38 65.9 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.243 -0.435 . . . . 10.0 110.922 -179.863 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -60.86 -43.81 97.87 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.203 -0.453 . . . . 10.0 111.235 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 13.7 t70 -59.66 -46.21 89.71 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.702 -0.681 . . . . 10.0 110.643 179.871 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 7.7 t60 -68.03 -35.94 79.1 Favored 'General case' 0 CA--C 1.532 0.282 0 CA-C-N 116.039 -0.528 . . . . 10.0 110.862 -179.762 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' ARG . . . . . 0.537 ' NE ' ' HA ' ' A' ' 16' ' ' ARG . 23.6 tpt180 -72.03 -41.13 67.86 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.415 -0.357 . . . . 10.0 111.337 -179.793 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 31.0 tp -60.86 -32.43 71.85 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.417 -0.356 . . . . 10.0 110.685 -179.743 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -60.89 -58.32 8.95 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.114 -0.494 . . . . 10.0 111.754 -179.836 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -67.02 -31.03 71.3 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.227 -0.442 . . . . 10.0 111.256 -179.009 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 9.2 tp -66.19 -43.82 85.72 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.31 -0.405 . . . . 10.0 110.492 -179.866 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 16.9 m -70.55 -32.75 70.3 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.986 0.422 . . . . 10.0 110.754 179.751 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 76.5 mmm -78.88 -5.87 54.69 Favored 'General case' 0 C--O 1.236 0.378 0 CA-C-N 115.965 -0.561 . . . . 10.0 111.703 -179.639 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 64.1 t30 59.37 36.54 23.36 Favored 'General case' 0 N--CA 1.463 0.21 0 CA-C-N 115.796 -0.638 . . . . 10.0 111.558 179.449 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 4.5 tppp? -164.54 130.31 2.85 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.328 -0.396 . . . . 10.0 109.971 179.613 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 8.9 mp -74.15 130.43 39.76 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-O 121.083 0.468 . . . . 10.0 111.261 -179.451 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 46.0 m-85 -131.5 132.04 43.91 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.85 -0.614 . . . . 10.0 109.638 179.716 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -64.99 -52.27 57.1 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 108.154 -1.054 . . . . 10.0 108.154 178.547 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 15.0 pttt -113.19 143.61 44.09 Favored 'General case' 0 C--N 1.32 -0.705 0 N-CA-C 107.98 -1.118 . . . . 10.0 107.98 177.85 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 35.8 mm -102.04 117.56 61.15 Favored Pre-proline 0 C--N 1.32 -0.678 0 C-N-CA 120.921 -0.312 . . . . 10.0 110.372 -179.092 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 34.8 Cg_exo -59.83 145.28 98.64 Favored 'Trans proline' 0 CA--C 1.53 0.316 0 C-N-CA 122.958 2.439 . . . . 10.0 112.803 179.555 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -50.12 -49.58 51.33 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 113.587 0.958 . . . . 10.0 113.587 -178.59 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 97.7 p -72.38 -9.23 58.25 Favored 'General case' 0 C--O 1.256 1.403 0 O-C-N 121.412 -0.805 . . . . 0.0 110.945 -177.152 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 38.8 t -82.48 -27.41 8.72 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.198 0 CA-C-N 119.355 0.98 . . . . 10.0 111.135 -178.486 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 68' ' ' TRP . . . . . 0.54 ' HB2' HG11 ' C' ' 35' ' ' VAL . 96.8 m95 -60.17 -20.88 60.58 Favored 'General case' 0 N--CA 1.465 0.292 0 CA-C-O 121.083 0.468 . . . . 10.0 110.85 179.819 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 5.6 tppp? -63.3 -27.28 69.22 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.731 -0.668 . . . . 10.0 111.541 179.884 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 36.5 m-85 -88.38 6.79 35.69 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.989 0.423 . . . . 10.0 111.618 -178.404 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.413 HD13 ' HA ' ' A' ' 68' ' ' TRP . 1.8 mp -100.14 130.09 49.86 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 CA-C-N 116.273 -0.421 . . . . 10.0 109.934 179.725 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 64.7 mtp180 . . . . . 0 C--O 1.249 1.075 0 CA-C-O 118.773 -0.632 . . . . 10.0 110.406 -178.977 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.297 0 CA-C-O 120.81 0.338 . . . . 10.0 110.344 . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . -72.27 -43.56 64.1 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.951 -0.568 . . . . 10.0 110.636 -179.923 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 5' ' ' LEU . . . . . 0.43 ' HG ' ' SD ' ' C' ' 29' ' ' MET . 10.3 mp -70.8 -10.96 60.62 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.715 -0.675 . . . . 10.0 110.756 -179.617 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 33.8 ttpt -74.09 -43.41 57.76 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 121.109 0.481 . . . . 10.0 110.753 179.816 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 7' ' ' ILE . . . . . . . . . . . . . 16.5 pt -91.46 -17.63 7.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 116.104 -0.498 . . . . 10.0 111.373 -179.271 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -74.53 -15.18 60.87 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.017 -0.538 . . . . 10.0 111.434 -179.815 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 9' ' ' ASN . . . . . . . . . . . . . 45.7 t30 -90.72 12.5 18.91 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 111.887 0.329 . . . . 10.0 111.887 -179.169 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 10' ' ' ASN . . . . . 0.412 ' OD1' ' HB2' ' B' ' 12' ' ' ARG . 12.3 t-20 -140.42 124.39 17.41 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.041 0.448 . . . . 10.0 110.326 179.284 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 51.4 mt -63.52 -36.54 76.72 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 CA-C-N 115.664 -0.698 . . . . 10.0 112.464 -179.065 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 12' ' ' ARG . . . . . 0.412 ' HB2' ' OD1' ' B' ' 10' ' ' ASN . 93.6 mtt180 -59.32 -51.64 69.08 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 111.812 0.301 . . . . 10.0 111.812 -178.878 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 13' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -68.04 -41.31 82.26 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.944 0.402 . . . . 10.0 110.597 179.408 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 12.3 tp -57.39 -43.61 83.79 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.765 -0.652 . . . . 10.0 111.163 -179.338 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 15' ' ' ARG . . . . . 0.474 ' O ' ' HG2' ' B' ' 19' ' ' ARG . 37.4 mtt85 -59.53 -36.11 75.51 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.366 -0.379 . . . . 10.0 111.09 179.674 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 16' ' ' ALA . . . . . . . . . . . . . . . -76.04 -47.61 24.09 Favored 'General case' 0 C--N 1.331 -0.235 0 N-CA-C 112.315 0.487 . . . . 10.0 112.315 -178.839 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 17' ' ' GLN . . . . . . . . . . . . . 1.6 mp0 -68.11 -27.6 66.6 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.774 0.321 . . . . 10.0 111.311 -179.183 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -73.05 -7.96 53.58 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.494 -0.321 . . . . 10.0 111.485 179.551 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 19' ' ' ARG . . . . . 0.474 ' HG2' ' O ' ' B' ' 15' ' ' ARG . 24.6 mmm180 -75.93 -19.07 59.07 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.487 -0.324 . . . . 10.0 110.781 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 1.8 pt-20 -81.19 -9.74 59.74 Favored 'General case' 0 C--N 1.331 -0.234 0 C-N-CA 120.665 -0.414 . . . . 10.0 110.955 -179.617 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 21' ' ' CYS . . . . . 0.665 ' SG ' HD21 ' B' ' 26' ' ' LEU . 32.0 p -117.44 168.07 10.71 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-O 121.145 0.498 . . . . 0.0 111.012 179.163 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 13.5 p -98.4 176.37 5.71 Favored 'General case' 0 C--O 1.236 0.379 0 CA-C-N 115.839 -0.619 . . . . 10.0 110.622 179.303 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 23' ' ' LEU . . . . . 0.424 HD13 ' HB3' ' C' ' 40' ' ' ARG . 39.5 tp -60.13 -39.54 86.64 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 121.026 0.441 . . . . 10.0 109.818 179.455 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 24' ' ' GLU . . . . . 0.42 ' O ' ' HB2' ' B' ' 28' ' ' GLU . 41.8 tt0 -60.88 -45.79 93.17 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.576 -0.738 . . . . 10.0 111.092 179.824 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 25' ' ' THR . . . . . 0.458 ' HB ' ' HB2' ' B' ' 21' ' ' CYS . 0.2 OUTLIER -63.82 -39.38 94.1 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.774 0.321 . . . . 10.0 110.404 179.499 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 26' ' ' LEU . . . . . 0.665 HD21 ' SG ' ' B' ' 21' ' ' CYS . 46.1 mt -64.62 -47.98 76.57 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.153 -0.476 . . . . 10.0 110.348 179.691 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 27' ' ' GLU . . . . . 0.546 ' OE2' ' HD3' ' C' ' 41' ' ' ARG . 11.2 mt-10 -63.78 -38.69 92.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.912 0.386 . . . . 10.0 110.164 179.085 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 28' ' ' GLU . . . . . 0.469 ' O ' ' HG3' ' B' ' 32' ' ' LYS . 0.0 OUTLIER -59.52 -48.37 81.93 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.742 -0.663 . . . . 10.0 111.295 -179.927 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 29' ' ' MET . . . . . 0.497 ' HG3' ' O ' ' B' ' 26' ' ' LEU . 3.4 ppp? -75.69 -28.16 58.53 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 111.94 0.348 . . . . 10.0 111.94 -178.925 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 55.0 tp -60.34 -45.6 92.87 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.731 0.301 . . . . 10.0 110.627 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 31' ' ' GLU . . . . . 0.462 ' HG3' ' O ' ' B' ' 27' ' ' GLU . 19.5 mt-10 -64.26 -35.84 82.15 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.211 -0.449 . . . . 10.0 110.681 -179.669 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 32' ' ' LYS . . . . . 0.479 ' O ' HG23 ' B' ' 36' ' ' VAL . 54.1 mttm -65.96 -45.13 82.86 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.06 -0.518 . . . . 10.0 111.052 -179.691 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 33' ' ' LEU . . . . . 0.497 ' O ' HG23 ' B' ' 37' ' ' VAL . 20.7 tp -71.4 -36.1 71.26 Favored 'General case' 0 C--N 1.322 -0.596 0 C-N-CA 120.565 -0.454 . . . . 10.0 110.11 179.665 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -57.94 -50.55 72.99 Favored 'General case' 0 C--O 1.234 0.241 0 CA-C-N 116.038 -0.528 . . . . 10.0 110.917 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 35' ' ' VAL . . . . . . . . . . . . . 35.2 m -62.8 -35.04 69.14 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.23 0 C-N-CA 121.103 -0.239 . . . . 10.0 111.126 -179.892 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 36' ' ' VAL . . . . . 0.479 HG23 ' O ' ' B' ' 32' ' ' LYS . 71.2 t -67.1 -42.82 88.78 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-O 120.854 0.359 . . . . 10.0 110.177 179.443 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 37' ' ' VAL . . . . . 0.497 HG23 ' O ' ' B' ' 33' ' ' LEU . 88.5 t -64.31 -40.56 89.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 N-CA-C 109.671 -0.492 . . . . 10.0 109.671 178.918 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 64.1 t30 -63.73 -43.6 96.04 Favored 'General case' 0 C--N 1.33 -0.269 0 N-CA-C 109.452 -0.573 . . . . 10.0 109.452 178.726 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 39' ' ' GLU . . . . . 0.447 ' CD ' HH21 ' C' ' 15' ' ' ARG . 41.8 mt-10 -60.61 -39.39 88.0 Favored 'General case' 0 C--O 1.233 0.229 0 CA-C-N 115.772 -0.649 . . . . 10.0 110.547 178.88 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 10.0 mmm-85 -70.06 -41.47 74.14 Favored 'General case' 0 C--N 1.33 -0.255 0 N-CA-C 109.843 -0.428 . . . . 10.0 109.843 178.6 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 41' ' ' ARG . . . . . . . . . . . . . 93.7 mtt180 -58.6 -42.81 88.98 Favored 'General case' 0 C--N 1.331 -0.213 0 N-CA-C 109.248 -0.649 . . . . 10.0 109.248 178.533 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 8.0 tp10 -55.76 -48.38 75.37 Favored 'General case' 0 CA--C 1.527 0.073 0 CA-C-N 115.611 -0.722 . . . . 10.0 110.155 178.913 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -63.7 -35.15 79.62 Favored 'General case' 0 C--O 1.234 0.288 0 CA-C-N 116.221 -0.445 . . . . 10.0 110.794 179.743 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 44' ' ' GLU . . . . . 0.414 ' HG2' HD22 ' C' ' 23' ' ' LEU . 1.2 tp10 -68.52 -46.56 69.24 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.668 -0.697 . . . . 10.0 111.083 179.913 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 45' ' ' SER . . . . . . . . . . . . . 2.8 p -74.58 -19.93 60.13 Favored 'General case' 0 C--N 1.331 -0.203 0 N-CA-C 111.857 0.317 . . . . 10.0 111.857 -179.389 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.489 0 CA-C-O 121.039 0.447 . . . . 10.0 111.266 179.789 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' C' C ' 3' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.468 0.429 0 N-CA-C 112.255 0.465 . . . . 10.0 112.255 . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 4' ' ' ALA . . . . . . . . . . . . . . . -77.64 -12.16 59.94 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 120.925 0.393 . . . . 10.0 111.697 -179.001 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 5' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -81.9 -34.56 29.91 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 120.804 0.335 . . . . 10.0 111.362 -179.277 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 6' ' ' LYS . . . . . . . . . . . . . 5.8 tptm -62.3 -38.75 90.58 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.197 -0.456 . . . . 10.0 111.985 -179.024 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 7' ' ' ILE . . . . . . . . . . . . . 41.5 pt -80.13 -22.17 11.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-N 116.414 -0.357 . . . . 10.0 111.414 -178.94 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 8' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -78.88 -21.2 47.82 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.074 0.464 . . . . 10.0 110.497 -179.633 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 9' ' ' ASN . . . . . . . . . . . . . 14.1 t-20 -89.53 5.15 46.78 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.636 0.731 . . . . 10.0 109.812 179.214 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 10' ' ' ASN . . . . . . . . . . . . . 2.1 m-20 -116.01 106.71 14.08 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.841 -0.618 . . . . 10.0 110.564 -179.763 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 11' ' ' ILE . . . . . . . . . . . . . 2.5 tp -56.17 -29.3 27.14 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.37 0 CA-C-N 116.28 -0.418 . . . . 10.0 111.138 179.865 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 12' ' ' ARG . . . . . . . . . . . . . 29.8 mmt180 -63.12 -55.77 22.5 Favored 'General case' 0 C--N 1.333 -0.123 0 CA-C-O 121.038 0.447 . . . . 10.0 110.722 179.891 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 13' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -68.51 -34.43 75.88 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.832 -0.622 . . . . 10.0 110.697 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 14' ' ' LEU . . . . . . . . . . . . . 12.9 tp -62.76 -45.9 90.55 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.748 -0.66 . . . . 10.0 110.808 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 15' ' ' ARG . . . . . 0.447 HH21 ' CD ' ' B' ' 39' ' ' GLU . 72.3 mtt180 -66.4 -14.48 62.21 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.444 -0.343 . . . . 10.0 111.379 179.841 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 16' ' ' ALA . . . . . . . . . . . . . . . -90.26 -54.74 3.88 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.648 0.261 . . . . 10.0 111.359 -179.888 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 17' ' ' GLN . . . . . . . . . . . . . 39.6 tt0 -71.36 -16.86 62.44 Favored 'General case' 0 CA--C 1.532 0.273 0 N-CA-C 111.814 0.301 . . . . 10.0 111.814 -178.582 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 18' ' ' ALA . . . . . . . . . . . . . . . -68.11 -12.63 61.22 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.209 0.528 . . . . 10.0 110.939 179.542 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 19' ' ' ARG . . . . . . . . . . . . . 29.6 mtt180 -95.8 2.99 54.12 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.157 -0.474 . . . . 10.0 110.305 179.834 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 20' ' ' GLU . . . . . . . . . . . . . 23.1 tt0 -86.21 -5.69 59.14 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.794 -0.639 . . . . 10.0 110.14 179.855 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 21' ' ' CYS . . . . . . . . . . . . . 73.0 m -142.26 169.51 17.45 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 121.324 0.583 . . . . 0.0 111.014 179.653 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 22' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -85.77 172.15 11.03 Favored 'General case' 0 N--CA 1.451 -0.385 0 CA-C-N 115.9 -0.591 . . . . 10.0 111.01 179.723 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 23' ' ' LEU . . . . . 0.414 HD22 ' HG2' ' B' ' 44' ' ' GLU . 27.2 tp -61.52 -39.9 92.66 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.16 -0.473 . . . . 10.0 111.772 -179.422 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 24' ' ' GLU . . . . . . . . . . . . . 18.7 tt0 -54.76 -51.33 66.02 Favored 'General case' 0 N--CA 1.463 0.195 0 CA-C-O 120.679 0.276 . . . . 10.0 111.531 -179.197 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 25' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -60.95 -45.14 95.89 Favored 'General case' 0 N--CA 1.452 -0.355 0 CA-C-N 116.416 -0.356 . . . . 10.0 110.946 -179.734 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 26' ' ' LEU . . . . . . . . . . . . . 95.2 mt -62.81 -39.37 94.06 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.163 -0.471 . . . . 10.0 111.172 -179.738 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 27' ' ' GLU . . . . . . . . . . . . . 18.1 tt0 -71.67 -50.39 30.94 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.938 -0.574 . . . . 10.0 111.571 -179.263 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 28' ' ' GLU . . . . . . . . . . . . . 27.6 tt0 -57.16 -41.92 80.09 Favored 'General case' 0 N--CA 1.464 0.239 0 CA-C-O 120.708 0.29 . . . . 10.0 111.172 -179.225 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 29' ' ' MET . . . . . 0.43 ' SD ' ' HG ' ' B' ' 5' ' ' LEU . 19.6 ptp -76.29 -26.87 56.32 Favored 'General case' 0 C--N 1.329 -0.302 0 C-N-CA 120.681 -0.407 . . . . 10.0 111.269 -179.565 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 30' ' ' LEU . . . . . 0.447 HD22 HG21 ' B' ' 37' ' ' VAL . 12.8 tp -65.3 -42.67 92.84 Favored 'General case' 0 C--N 1.331 -0.208 0 N-CA-C 110.015 -0.365 . . . . 10.0 110.015 179.132 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 31' ' ' GLU . . . . . . . . . . . . . 27.2 mt-10 -60.99 -36.63 79.96 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.665 -0.698 . . . . 10.0 110.048 179.467 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 32' ' ' LYS . . . . . 0.506 ' O ' HG23 ' C' ' 36' ' ' VAL . 34.3 mttt -71.99 -22.57 61.41 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.845 -0.616 . . . . 10.0 110.761 179.84 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 33' ' ' LEU . . . . . 0.469 ' O ' HG23 ' C' ' 37' ' ' VAL . 30.5 tp -83.54 -45.42 13.58 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.45 -0.341 . . . . 10.0 110.507 179.45 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 34' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -61.18 -33.22 73.11 Favored 'General case' 0 C--N 1.333 -0.125 0 CA-C-N 116.243 -0.435 . . . . 10.0 111.39 -178.981 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 35' ' ' VAL . . . . . 0.54 HG11 ' HB2' ' A' ' 68' ' ' TRP . 29.8 m -73.16 -32.61 39.19 Favored 'Isoleucine or valine' 0 C--O 1.228 -0.052 0 C-N-CA 120.501 -0.48 . . . . 10.0 110.786 179.507 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 36' ' ' VAL . . . . . 0.506 HG23 ' O ' ' C' ' 32' ' ' LYS . 71.2 t -69.11 -42.79 81.95 Favored 'Isoleucine or valine' 0 C--O 1.234 0.266 0 N-CA-C 109.144 -0.687 . . . . 10.0 109.144 179.11 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 37' ' ' VAL . . . . . 0.469 HG23 ' O ' ' C' ' 33' ' ' LEU . 38.3 t -66.3 -36.86 78.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 115.542 -0.754 . . . . 10.0 109.046 178.393 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 38' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -66.52 -43.28 85.66 Favored 'General case' 0 CA--C 1.521 -0.144 0 CA-C-N 115.645 -0.707 . . . . 10.0 110.277 179.261 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 39' ' ' GLU . . . . . . . . . . . . . 35.8 mt-10 -55.6 -46.55 77.3 Favored 'General case' 0 CA--C 1.518 -0.255 0 N-CA-C 108.981 -0.748 . . . . 10.0 108.981 178.377 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 40' ' ' ARG . . . . . 0.424 ' HB3' HD13 ' B' ' 23' ' ' LEU . 0.0 OUTLIER -60.94 -44.75 96.8 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 114.881 -1.054 . . . . 10.0 110.169 178.931 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' C' C ' 41' ' ' ARG . . . . . 0.546 ' HD3' ' OE2' ' B' ' 27' ' ' GLU . 7.5 mmm180 -58.71 -52.54 65.27 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.808 -0.633 . . . . 10.0 111.316 179.879 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 42' ' ' GLU . . . . . . . . . . . . . 31.0 mt-10 -59.51 -47.03 87.09 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.652 -0.703 . . . . 10.0 111.182 -179.595 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 43' ' ' GLU . . . . . . . . . . . . . 54.7 mm-40 -63.02 -43.9 97.45 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.181 -0.463 . . . . 10.0 111.145 -179.529 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 44' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -64.66 -39.96 94.6 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.144 -0.48 . . . . 10.0 110.771 179.788 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 45' ' ' SER . . . . . . . . . . . . . 55.0 m -72.76 -15.02 61.66 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.166 -0.47 . . . . 10.0 111.707 -179.682 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 46' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.299 0 CA-C-O 120.968 0.413 . . . . 10.0 110.354 179.567 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 2.1 mp . . . . . 0 N--CA 1.48 1.037 0 N-CA-C 110.04 -0.355 . . . . 10.0 110.04 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -80.71 153.93 27.57 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.129 -0.487 . . . . 10.0 111.65 -179.367 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 80.5 tttt -58.87 -39.76 82.34 Favored 'General case' 0 C--O 1.236 0.355 0 CA-C-N 115.939 -0.573 . . . . 10.0 110.852 179.909 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -66.52 -30.77 71.17 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.712 -0.676 . . . . 10.0 111.726 -179.944 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 48.2 m-20 -65.73 -45.66 81.82 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.193 -0.458 . . . . 10.0 110.354 -179.821 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 62.1 m-85 -66.51 -40.08 89.02 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 109.518 -0.549 . . . . 10.0 109.518 178.756 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 58.6 tp -56.95 -46.16 82.29 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 114.993 -1.003 . . . . 10.0 111.276 179.901 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 87.6 mmm -63.82 -38.18 90.12 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.907 0.384 . . . . 10.0 110.922 -179.888 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.46 -26.39 66.36 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.152 -0.476 . . . . 10.0 110.662 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 91.0 mt -94.67 -8.99 36.28 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.11 -0.495 . . . . 10.0 111.509 -179.643 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -69.1 -24.29 64.1 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.952 0.406 . . . . 10.0 110.558 -179.708 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 61.7 mtm-85 -76.7 -27.26 55.42 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.03 -0.532 . . . . 10.0 110.233 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 8.5 m -82.88 122.4 28.19 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.788 -0.642 . . . . 10.0 111.058 -179.256 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -125.52 -165.76 1.46 Allowed 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.727 -0.67 . . . . 10.0 109.225 179.35 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 20' ' ' THR . . . . . 0.403 ' O ' ' HB ' ' A' ' 21' ' ' ILE . 5.4 m 73.54 -18.39 0.38 Allowed 'General case' 0 CA--C 1.541 0.61 0 N-CA-C 112.385 0.513 . . . . 10.0 112.385 179.062 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.403 ' HB ' ' O ' ' A' ' 20' ' ' THR . 81.5 mt 74.45 -48.85 0.19 Allowed 'Isoleucine or valine' 0 N--CA 1.47 0.575 0 C-N-CA 123.32 0.648 . . . . 10.0 111.187 -179.533 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 20.1 t70 -52.45 -49.67 64.16 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.705 -0.68 . . . . 10.0 111.382 179.772 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -74.19 -26.43 60.28 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.449 -0.342 . . . . 10.0 111.416 179.77 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 49.6 tp -67.51 -38.55 84.44 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.208 -0.451 . . . . 10.0 110.748 -179.71 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 7.0 mt-10 -74.61 -7.4 53.05 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.465 -0.334 . . . . 10.0 111.28 179.847 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 5.0 mtt85 -91.18 -39.9 11.86 Favored 'General case' 0 C--N 1.328 -0.351 0 C-N-CA 121.044 -0.262 . . . . 10.0 111.194 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 9.3 p -67.53 -38.25 80.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 120.957 0.408 . . . . 10.0 110.302 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 46.8 pt -70.47 -27.43 31.38 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-O 121.136 0.493 . . . . 10.0 109.962 179.025 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 34.2 tp10 -69.68 -43.14 73.11 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.637 -0.71 . . . . 10.0 109.354 178.805 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 6.8 tttp -67.52 -48.56 66.67 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.654 -0.703 . . . . 10.0 110.557 179.518 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' ASN . . . . . 0.559 ' O ' ' HG ' ' A' ' 35' ' ' LEU . 7.7 m-20 -60.37 -28.81 68.49 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.435 -0.802 . . . . 10.0 111.385 -179.396 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 28.3 ttmt -53.5 -40.96 65.82 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.842 0.353 . . . . 10.0 111.601 179.825 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 34.9 m-85 -90.9 -23.53 20.47 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.81 0.338 . . . . 10.0 111.319 -179.157 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 21.9 mt-10 -78.03 -35.96 49.17 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.494 -0.321 . . . . 10.0 111.532 -179.253 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.559 ' HG ' ' O ' ' A' ' 31' ' ' ASN . 92.1 mt -66.53 165.01 15.36 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.928 0.394 . . . . 10.0 111.289 -179.136 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 36' ' ' SER . . . . . 0.443 ' O ' ' HB2' ' A' ' 37' ' ' ASP . 67.0 m -93.42 8.92 38.64 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.093 -0.503 . . . . 10.0 110.977 -179.84 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 37' ' ' ASP . . . . . 0.443 ' HB2' ' O ' ' A' ' 36' ' ' SER . 98.4 m-20 75.32 -14.29 0.78 Allowed 'General case' 0 C--O 1.261 1.663 0 C-N-CA 124.554 1.142 . . . . 0.0 111.064 177.136 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 2.2 p-10 -86.19 -30.16 22.64 Favored 'General case' 0 C--N 1.328 -0.347 0 O-C-N 119.77 -1.831 . . . . 10.0 110.959 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -93.98 -2.78 52.59 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.271 0.558 . . . . 10.0 110.122 -179.842 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 32.7 tp -60.35 -25.71 66.04 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.438 -0.801 . . . . 10.0 110.932 179.799 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -61.72 -54.51 41.59 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.973 -0.558 . . . . 10.0 111.397 -179.67 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 5.4 m -73.5 -28.8 25.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-O 120.827 0.346 . . . . 10.0 110.995 -179.493 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 81.5 t80 -66.89 -40.65 87.82 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.111 -0.495 . . . . 10.0 110.132 179.378 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -65.13 -40.02 93.87 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.032 -0.531 . . . . 10.0 110.33 179.224 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -61.18 -33.9 74.18 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.161 -0.472 . . . . 10.0 110.14 179.306 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -73.27 -46.22 51.22 Favored 'General case' 0 N--CA 1.454 -0.237 0 CA-C-N 116.043 -0.526 . . . . 10.0 110.38 179.516 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -61.83 -46.55 89.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.907 -0.588 . . . . 10.0 110.109 179.295 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -54.69 -51.47 65.41 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.537 -0.756 . . . . 10.0 110.077 178.972 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 49' ' ' HIS . . . . . 0.427 ' O ' ' HG2' ' A' ' 53' ' ' GLU . 2.9 t60 -62.03 -44.63 96.3 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.104 -0.953 . . . . 10.0 111.345 -179.027 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 25.2 tpt180 -67.26 -40.88 86.28 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.353 -0.385 . . . . 10.0 111.606 -179.15 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 53.8 tp -67.3 -38.55 85.16 Favored 'General case' 0 C--N 1.323 -0.559 0 C-N-CA 121.069 -0.252 . . . . 10.0 110.606 -179.789 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -60.27 -49.12 78.88 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.343 -0.39 . . . . 10.0 111.935 -179.657 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' GLU . . . . . 0.427 ' HG2' ' O ' ' A' ' 49' ' ' HIS . 10.4 pt-20 -68.99 -32.48 72.08 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 120.767 0.318 . . . . 10.0 110.854 -179.85 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.402 HD12 ' HA ' ' A' ' 54' ' ' LEU . 13.8 tp -71.86 -34.12 68.97 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.414 -0.357 . . . . 10.0 110.229 179.511 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 86.5 m -68.67 -36.11 78.11 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 121.233 0.54 . . . . 10.0 109.973 178.952 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 76.5 mmm -83.7 -5.84 59.29 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.718 -0.674 . . . . 10.0 110.29 179.023 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 6.3 t30 55.4 46.75 22.67 Favored 'General case' 0 C--O 1.234 0.258 0 CA-C-N 115.487 -0.779 . . . . 10.0 110.701 -179.566 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 4.5 tppp? -166.23 126.82 1.72 Allowed 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.462 -0.79 . . . . 10.0 109.171 179.696 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 7.1 mp -68.24 127.29 32.4 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.231 0.538 . . . . 10.0 110.624 -179.881 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 25.7 m-85 -126.05 128.25 47.12 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.623 -0.717 . . . . 10.0 110.794 -179.403 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 14.4 t70 -66.78 -47.03 73.42 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 107.608 -1.256 . . . . 10.0 107.608 177.655 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 43.0 tptt -116.3 123.41 47.6 Favored 'General case' 0 N--CA 1.449 -0.481 0 CA-C-N 114.532 -1.213 . . . . 10.0 108.354 178.17 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.414 HG12 ' CE1' ' A' ' 49' ' ' HIS . 45.4 mm -82.93 123.09 78.16 Favored Pre-proline 0 C--N 1.322 -0.627 0 CA-C-N 116.542 -0.299 . . . . 10.0 111.416 -179.096 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 31.6 Cg_exo -59.12 140.98 97.49 Favored 'Trans proline' 0 C--N 1.349 0.601 0 C-N-CA 122.216 1.944 . . . . 10.0 110.978 178.158 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -55.21 -35.72 65.2 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 112.996 0.739 . . . . 10.0 112.996 -178.061 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 97.6 p -73.41 -7.63 52.51 Favored 'General case' 0 C--O 1.26 1.631 0 O-C-N 121.746 -0.596 . . . . 0.0 111.023 -176.588 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 89.4 t -83.33 -28.14 7.75 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.934 0 CA-C-N 120.11 1.323 . . . . 10.0 111.435 -179.059 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 68' ' ' TRP . . . . . 0.41 ' HB3' ' CD1' ' B' ' 11' ' ' ILE . 60.5 m95 -61.5 -19.74 62.41 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 112.179 0.437 . . . . 10.0 112.179 -178.895 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 20.5 tptp -68.07 -22.15 64.94 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.729 0.3 . . . . 10.0 111.157 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 80.9 m-85 -99.88 10.03 42.0 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.444 -0.343 . . . . 10.0 111.716 -178.889 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -77.46 138.34 20.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-O 121.024 0.44 . . . . 10.0 110.013 179.508 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.247 0.936 0 CA-C-O 118.04 -0.981 . . . . 10.0 108.866 179.351 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.532 0.279 0 CA-C-O 120.565 0.221 . . . . 10.0 111.022 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . -73.71 -49.41 25.83 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.845 0.355 . . . . 10.0 111.129 -179.601 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 8.6 mp -66.58 -11.28 52.46 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.918 -0.583 . . . . 10.0 111.248 -179.59 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 84.0 tttt -81.11 -47.94 12.83 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.94 -0.573 . . . . 10.0 110.912 -179.742 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 7' ' ' ILE . . . . . . . . . . . . . 31.0 pt -79.72 -24.81 12.13 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 CA-C-N 116.166 -0.47 . . . . 10.0 111.089 -179.805 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 8' ' ' LEU . . . . . 0.454 HD23 ' SD ' ' C' ' 29' ' ' MET . 35.2 tp -77.13 -12.7 59.98 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.977 -0.556 . . . . 10.0 110.97 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 9' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 -79.92 -18.38 50.68 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.371 -0.377 . . . . 10.0 111.384 -179.48 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 10' ' ' ASN . . . . . 0.402 ' OD1' ' HB2' ' B' ' 12' ' ' ARG . 23.7 t-20 -118.09 136.24 53.7 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.272 0.558 . . . . 10.0 110.539 -179.869 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 11' ' ' ILE . . . . . 0.41 ' CD1' ' HB3' ' A' ' 68' ' ' TRP . 3.3 mt -75.95 -27.22 18.1 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 N-CA-C 113.2 0.815 . . . . 10.0 113.2 -177.882 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 12' ' ' ARG . . . . . 0.402 ' HB2' ' OD1' ' B' ' 10' ' ' ASN . 93.1 mtt180 -62.81 -37.77 88.08 Favored 'General case' 0 N--CA 1.465 0.321 0 CA-C-O 120.792 0.329 . . . . 10.0 110.841 -179.242 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 13' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -79.06 -41.79 27.94 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.167 0.508 . . . . 10.0 110.501 179.121 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 28.1 tp -62.82 -41.31 99.26 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.566 -0.743 . . . . 10.0 111.758 -179.154 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 15' ' ' ARG . . . . . 0.419 ' O ' ' HG2' ' B' ' 19' ' ' ARG . 17.3 mtt180 -58.27 -29.93 66.19 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.725 -0.216 . . . . 10.0 111.413 -179.801 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 16' ' ' ALA . . . . . . . . . . . . . . . -90.86 -38.98 12.59 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.117 0.484 . . . . 10.0 111.084 -179.746 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 17' ' ' GLN . . . . . . . . . . . . . 14.4 tp60 -64.03 -34.4 77.92 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.066 -0.516 . . . . 10.0 111.439 -179.617 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -79.88 4.17 17.52 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 112.273 0.472 . . . . 10.0 112.273 -179.004 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 19' ' ' ARG . . . . . 0.419 ' HG2' ' O ' ' B' ' 15' ' ' ARG . 25.4 mmm180 -85.48 -16.49 39.41 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 122.2 -0.313 . . . . 10.0 111.342 -179.506 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -95.45 7.37 46.43 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.099 0.476 . . . . 10.0 110.703 -179.761 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 21' ' ' CYS . . . . . . . . . . . . . 79.0 m -127.8 138.9 52.89 Favored 'General case' 0 CA--C 1.51 -0.561 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.009 178.427 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -68.62 161.95 26.96 Favored 'General case' 0 C--N 1.313 -1.015 0 O-C-N 124.184 0.927 . . . . 10.0 111.37 179.007 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 23' ' ' LEU . . . . . 0.446 HD21 ' HD2' ' C' ' 41' ' ' ARG . 17.9 tp -57.92 -39.95 79.2 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.342 -0.39 . . . . 10.0 110.427 179.67 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 24' ' ' GLU . . . . . 0.401 ' O ' ' HB2' ' B' ' 28' ' ' GLU . 7.7 tt0 -53.68 -53.43 52.18 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.788 -0.642 . . . . 10.0 111.103 179.746 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -64.62 -38.07 89.75 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.127 -0.488 . . . . 10.0 111.635 -179.354 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 26' ' ' LEU . . . . . 0.42 ' O ' ' HG2' ' B' ' 29' ' ' MET . 83.2 mt -66.09 -50.58 63.6 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.843 -0.617 . . . . 10.0 111.433 -179.271 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 27' ' ' GLU . . . . . 0.473 ' OE1' ' HD3' ' C' ' 41' ' ' ARG . 27.3 tt0 -65.02 -38.27 90.34 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.027 0.441 . . . . 10.0 110.18 -179.864 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 28' ' ' GLU . . . . . 0.401 ' HB2' ' O ' ' B' ' 24' ' ' GLU . 5.9 tm-20 -61.36 -45.87 92.6 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.799 -0.637 . . . . 10.0 110.646 179.897 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 29' ' ' MET . . . . . 0.42 ' HG2' ' O ' ' B' ' 26' ' ' LEU . 16.9 ptp -72.02 -30.21 64.98 Favored 'General case' 0 N--CA 1.463 0.192 0 CA-C-O 121.033 0.444 . . . . 10.0 110.058 179.63 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 15.6 tp -63.25 -46.28 87.64 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.016 -0.538 . . . . 10.0 110.061 178.75 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -60.31 -33.47 72.42 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.83 -0.623 . . . . 10.0 110.637 179.709 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -68.27 -39.45 82.16 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.175 -0.466 . . . . 10.0 110.495 179.552 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 22.6 tp -71.93 -34.88 69.43 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 109.657 -0.498 . . . . 10.0 109.657 179.024 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 17.5 tp10 -57.64 -51.71 68.41 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.809 -0.632 . . . . 10.0 110.79 179.229 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 35' ' ' VAL . . . . . . . . . . . . . 26.4 m -65.95 -31.27 52.96 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.305 0 CA-C-N 116.696 -0.229 . . . . 10.0 111.577 -179.466 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 42.5 t -69.92 -47.3 70.1 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-O 120.955 0.407 . . . . 10.0 110.21 179.566 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 87.0 t -66.68 -36.29 76.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-O 121.063 0.459 . . . . 10.0 109.96 179.089 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 27.3 t-20 -60.98 -39.45 89.67 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.13 -0.486 . . . . 10.0 109.989 178.721 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 39' ' ' GLU . . . . . 0.427 ' O ' ' HG3' ' B' ' 43' ' ' GLU . 23.7 mt-10 -63.52 -49.73 72.34 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.958 -0.564 . . . . 10.0 109.777 178.654 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 20.5 mmm-85 -58.04 -36.08 72.23 Favored 'General case' 0 C--O 1.232 0.148 0 CA-C-N 115.974 -0.557 . . . . 10.0 110.41 179.575 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 41' ' ' ARG . . . . . . . . . . . . . 69.4 mtt180 -58.71 -46.46 87.28 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.787 -0.642 . . . . 10.0 109.913 178.756 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -70.34 -39.74 74.53 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.4 -0.818 . . . . 10.0 110.906 -179.631 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 43' ' ' GLU . . . . . 0.427 ' HG3' ' O ' ' B' ' 39' ' ' GLU . 78.8 mt-10 -58.16 -39.53 79.08 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.926 0.393 . . . . 10.0 111.576 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -77.7 -45.91 23.43 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 116.15 -0.477 . . . . 10.0 112.279 -178.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 45' ' ' SER . . . . . . . . . . . . . 13.4 p -69.69 -36.67 76.17 Favored 'General case' 0 C--N 1.327 -0.413 0 N-CA-C 112.267 0.469 . . . . 10.0 112.267 -178.494 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.322 0 N-CA-C 111.854 0.316 . . . . 10.0 111.854 -179.273 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' C' C ' 3' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.521 -0.162 0 N-CA-C 109.58 -0.526 . . . . 10.0 109.58 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 4' ' ' ALA . . . . . . . . . . . . . . . -66.68 -34.8 78.65 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.576 -0.738 . . . . 10.0 110.8 179.699 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 5' ' ' LEU . . . . . . . . . . . . . 64.3 mt -79.63 -10.64 59.82 Favored 'General case' 0 CA--C 1.532 0.285 0 CA-C-N 116.326 -0.397 . . . . 10.0 110.992 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 6' ' ' LYS . . . . . . . . . . . . . 21.2 tptm -72.1 -55.42 7.36 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.414 -0.357 . . . . 10.0 110.567 -179.744 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 7' ' ' ILE . . . . . 0.457 HD13 ' H ' ' C' ' 7' ' ' ILE . 0.2 OUTLIER -75.44 -12.23 14.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.992 0.425 . . . . 10.0 110.769 -179.668 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' C' C ' 8' ' ' LEU . . . . . 0.549 HD12 HD13 ' C' ' 14' ' ' LEU . 12.4 tp -72.0 -21.93 61.49 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.707 -0.679 . . . . 10.0 110.469 179.794 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 9' ' ' ASN . . . . . . . . . . . . . 7.9 t-20 -91.9 -5.75 52.67 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.148 -0.478 . . . . 10.0 110.371 179.669 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 10' ' ' ASN . . . . . . . . . . . . . 74.7 m-20 -92.16 108.53 20.01 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.096 -0.502 . . . . 10.0 110.344 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 11' ' ' ILE . . . . . 0.418 ' O ' ' HB2' ' C' ' 15' ' ' ARG . 1.8 tp -58.03 -35.47 52.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-N 116.388 -0.369 . . . . 10.0 111.385 -179.485 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 12' ' ' ARG . . . . . . . . . . . . . 14.9 mmt85 -71.15 -50.12 36.71 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.622 0.249 . . . . 10.0 111.273 -179.749 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 13' ' ' THR . . . . . . . . . . . . . 1.8 m -65.53 -41.72 92.79 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.121 0.486 . . . . 10.0 111.221 -179.73 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 14' ' ' LEU . . . . . 0.549 HD13 HD12 ' C' ' 8' ' ' LEU . 50.6 tp -61.76 -48.51 80.35 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.713 -0.676 . . . . 10.0 110.695 179.939 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 15' ' ' ARG . . . . . 0.418 ' HB2' ' O ' ' C' ' 11' ' ' ILE . 24.3 ttt-85 -60.93 -30.47 70.23 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.141 -0.482 . . . . 10.0 110.985 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 16' ' ' ALA . . . . . . . . . . . . . . . -77.31 -45.94 24.59 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.312 -0.404 . . . . 10.0 111.86 -179.748 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 17' ' ' GLN . . . . . . . . . . . . . 2.0 tt0 -75.31 -21.93 58.07 Favored 'General case' 0 C--N 1.331 -0.231 0 C-N-CA 121.068 -0.253 . . . . 10.0 111.48 -179.269 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 18' ' ' ALA . . . . . 0.455 ' O ' HD11 ' C' ' 26' ' ' LEU . . . -67.73 -18.41 64.89 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.073 0.463 . . . . 10.0 110.662 179.306 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 19' ' ' ARG . . . . . . . . . . . . . 98.0 mtt180 -84.07 5.91 24.2 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.304 -0.407 . . . . 10.0 111.172 -179.811 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 20' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -87.07 -14.4 41.57 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.21 -0.45 . . . . 10.0 111.194 179.458 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 21' ' ' CYS . . . . . . . . . . . . . 73.1 m -133.1 168.96 17.56 Favored 'General case' 0 CA--C 1.512 -0.519 0 CA-C-O 121.474 0.654 . . . . 0.0 110.974 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 22' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -76.69 166.27 23.6 Favored 'General case' 0 N--CA 1.45 -0.442 0 CA-C-N 115.072 -0.967 . . . . 10.0 111.47 179.904 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 60.7 tp -62.48 -33.21 74.4 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.206 -0.452 . . . . 10.0 110.965 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 24' ' ' GLU . . . . . . . . . . . . . 4.5 tt0 -56.1 -54.65 42.5 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.316 -0.402 . . . . 10.0 110.831 179.901 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 25' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -67.11 -40.75 86.92 Favored 'General case' 0 N--CA 1.449 -0.507 0 CA-C-N 116.073 -0.512 . . . . 10.0 111.328 -179.828 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 26' ' ' LEU . . . . . 0.455 HD11 ' O ' ' C' ' 18' ' ' ALA . 89.8 mt -60.53 -46.04 91.61 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.176 0.512 . . . . 10.0 110.951 179.406 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 27' ' ' GLU . . . . . 0.504 ' O ' ' HG3' ' C' ' 31' ' ' GLU . 41.1 tt0 -67.7 -48.99 65.0 Favored 'General case' 0 N--CA 1.447 -0.602 0 CA-C-N 115.859 -0.61 . . . . 10.0 110.785 -179.734 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 28' ' ' GLU . . . . . 0.489 ' O ' ' HG3' ' C' ' 32' ' ' LYS . 3.8 tt0 -57.5 -39.54 76.69 Favored 'General case' 0 N--CA 1.461 0.121 0 O-C-N 123.069 0.23 . . . . 10.0 110.93 -179.479 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 29' ' ' MET . . . . . 0.454 ' SD ' HD23 ' B' ' 8' ' ' LEU . 13.2 ptp -73.89 -31.56 63.17 Favored 'General case' 0 C--N 1.331 -0.203 0 C-N-CA 120.449 -0.5 . . . . 10.0 110.719 179.926 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 30' ' ' LEU . . . . . . . . . . . . . 12.6 tp -66.81 -40.4 88.04 Favored 'General case' 0 C--O 1.232 0.148 0 N-CA-C 109.342 -0.614 . . . . 10.0 109.342 178.625 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 31' ' ' GLU . . . . . 0.504 ' HG3' ' O ' ' C' ' 27' ' ' GLU . 52.2 mt-10 -62.81 -31.62 72.65 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.256 -0.884 . . . . 10.0 110.435 179.623 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 32' ' ' LYS . . . . . 0.489 ' HG3' ' O ' ' C' ' 28' ' ' GLU . 85.1 mttt -81.03 -16.89 52.04 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.067 -0.515 . . . . 10.0 110.405 179.817 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 33' ' ' LEU . . . . . 0.594 ' O ' HG12 ' C' ' 36' ' ' VAL . 50.1 tp -86.27 -40.2 15.77 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.149 -0.478 . . . . 10.0 110.508 179.609 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 34' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -66.9 -30.59 70.78 Favored 'General case' 0 C--N 1.326 -0.454 0 C-N-CA 120.934 -0.306 . . . . 10.0 111.327 -179.551 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 35' ' ' VAL . . . . . . . . . . . . . 27.1 m -73.87 -33.97 38.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 C-N-CA 120.973 -0.291 . . . . 10.0 111.335 -179.824 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 36' ' ' VAL . . . . . 0.594 HG12 ' O ' ' C' ' 33' ' ' LEU . 3.8 p -71.97 -31.07 39.17 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.17 0 N-CA-C 109.381 -0.6 . . . . 10.0 109.381 179.135 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 37' ' ' VAL . . . . . . . . . . . . . 77.9 t -72.57 -36.37 53.6 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.341 0 N-CA-C 108.893 -0.781 . . . . 10.0 108.893 178.148 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 38' ' ' ASN . . . . . . . . . . . . . 2.0 t30 -59.05 -42.17 89.63 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.513 -0.767 . . . . 10.0 109.451 178.411 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 39' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -61.6 -34.89 76.41 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 115.512 -0.767 . . . . 10.0 110.115 179.408 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 40' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -73.64 -30.45 62.95 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.873 -0.603 . . . . 10.0 109.903 178.706 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 41' ' ' ARG . . . . . 0.473 ' HD3' ' OE1' ' B' ' 27' ' ' GLU . 10.3 mmm180 -66.35 -47.37 73.64 Favored 'General case' 0 C--N 1.333 -0.15 0 N-CA-C 109.157 -0.682 . . . . 10.0 109.157 178.281 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 42' ' ' GLU . . . . . . . . . . . . . 16.2 mt-10 -65.86 -12.59 55.6 Favored 'General case' 0 N--CA 1.464 0.232 0 CA-C-N 115.791 -0.64 . . . . 10.0 110.726 179.469 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 43' ' ' GLU . . . . . . . . . . . . . 23.3 tt0 -88.33 -56.23 3.4 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.613 -0.721 . . . . 10.0 111.35 -179.247 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 44' ' ' GLU . . . . . . . . . . . . . 5.3 mt-10 -77.36 -33.61 55.28 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 112.665 0.616 . . . . 10.0 112.665 -178.418 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 45' ' ' SER . . . . . . . . . . . . . 50.4 m -74.87 -5.93 46.35 Favored 'General case' 0 N--CA 1.463 0.203 0 CA-C-O 120.873 0.368 . . . . 10.0 111.363 -179.88 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 46' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.484 0 CA-C-O 121.037 0.446 . . . . 10.0 110.612 179.905 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 52.2 tp . . . . . 0 N--CA 1.479 0.983 0 N-CA-C 110.104 -0.332 . . . . 10.0 110.104 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -92.05 152.3 20.03 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.298 -0.41 . . . . 10.0 111.03 -179.869 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 60.8 pttt -69.23 -20.05 63.95 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.796 0.332 . . . . 10.0 110.625 179.655 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -61.68 -38.3 87.27 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.028 -0.533 . . . . 10.0 111.035 179.639 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -63.16 -38.32 90.72 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.065 -0.516 . . . . 10.0 110.61 -179.773 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 4.3 m-85 -78.42 -37.42 43.87 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.062 -0.517 . . . . 10.0 109.687 178.962 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 42.7 tp -58.29 -51.22 70.69 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.823 -0.626 . . . . 10.0 110.896 179.767 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 1.6 tpt -65.44 -31.89 73.22 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.033 0.444 . . . . 10.0 110.393 -179.86 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.76 -30.48 69.09 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.992 -0.549 . . . . 10.0 110.418 179.201 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 91.3 mt -93.23 -4.03 52.67 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.166 -0.47 . . . . 10.0 111.229 -179.803 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -66.35 -23.89 66.42 Favored 'General case' 0 N--CA 1.464 0.272 0 CA-C-O 121.104 0.478 . . . . 10.0 110.662 -179.886 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 90.2 mtm-85 -78.17 -20.06 52.73 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.311 0.577 . . . . 10.0 110.527 179.319 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 35.4 m -79.57 99.39 7.28 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.782 -0.644 . . . . 10.0 110.691 -179.809 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 12.4 mm100 -98.65 -174.32 2.77 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.821 -0.627 . . . . 10.0 109.772 179.054 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' THR . . . . . 0.457 ' O ' ' HB ' ' A' ' 21' ' ' ILE . 7.4 p 62.79 -8.19 0.13 Allowed 'General case' 0 N--CA 1.472 0.675 0 N-CA-C 114.428 1.269 . . . . 10.0 114.428 178.283 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.457 ' HB ' ' O ' ' A' ' 20' ' ' THR . 82.0 mt 73.43 -48.63 0.19 Allowed 'Isoleucine or valine' 0 N--CA 1.469 0.493 0 C-N-CA 122.876 0.471 . . . . 10.0 110.657 -179.147 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 13.0 t70 -54.65 -37.75 66.06 Favored 'General case' 0 C--N 1.327 -0.384 0 C-N-CA 123.06 0.544 . . . . 10.0 111.275 179.762 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 5.3 m -67.3 -39.87 86.0 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.253 0.549 . . . . 10.0 110.596 179.128 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.453 ' HA ' HG12 ' A' ' 27' ' ' VAL . 20.0 tp -65.83 -40.01 91.39 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.337 -0.847 . . . . 10.0 110.874 -179.268 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 6.7 tp10 -56.69 -26.22 56.03 Favored 'General case' 0 CA--C 1.538 0.508 0 CA-C-N 115.961 -0.563 . . . . 10.0 111.802 -179.647 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 72.9 mtt85 -90.7 -39.77 12.25 Favored 'General case' 0 C--N 1.33 -0.271 0 N-CA-C 111.845 0.313 . . . . 10.0 111.845 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.453 HG12 ' HA ' ' A' ' 24' ' ' LEU . 5.8 p -65.77 -35.37 74.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 C-N-CA 121.088 -0.245 . . . . 10.0 111.271 -178.951 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.498 ' O ' ' HB2' ' A' ' 32' ' ' LYS . 48.7 pt -74.48 -21.95 17.53 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-O 120.975 0.417 . . . . 10.0 110.235 179.582 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 9.9 tp10 -78.22 -46.16 21.11 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.824 -0.626 . . . . 10.0 109.634 179.415 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 24.1 mtpp -67.14 -47.91 69.66 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.646 -0.706 . . . . 10.0 111.003 179.902 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' ASN . . . . . 0.477 ' O ' ' HG ' ' A' ' 35' ' ' LEU . 0.1 OUTLIER -66.26 -25.63 66.97 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.196 -0.457 . . . . 10.0 111.622 -179.339 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.498 ' HB2' ' O ' ' A' ' 28' ' ' ILE . 36.0 ttmt -56.7 -34.48 67.47 Favored 'General case' 0 C--N 1.328 -0.358 0 C-N-CA 122.778 0.431 . . . . 10.0 111.632 -179.712 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 88.6 m-85 -96.93 -3.07 42.46 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 120.924 0.392 . . . . 10.0 111.469 -178.872 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 53.5 mt-10 -103.91 9.08 36.9 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.17 0.51 . . . . 10.0 110.195 179.478 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.477 ' HG ' ' O ' ' A' ' 31' ' ' ASN . 88.7 mt -104.7 158.39 16.54 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.751 -0.658 . . . . 10.0 110.521 179.638 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 36' ' ' SER . . . . . 0.503 ' O ' ' HB2' ' A' ' 37' ' ' ASP . 2.4 m -92.9 1.68 57.17 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 116.139 -0.482 . . . . 10.0 110.47 -179.799 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 37' ' ' ASP . . . . . 0.503 ' HB2' ' O ' ' A' ' 36' ' ' SER . 97.1 m-20 79.75 -14.4 0.86 Allowed 'General case' 0 C--O 1.255 1.389 0 C-N-CA 124.919 1.288 . . . . 0.0 111.079 178.929 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 2.2 p-10 -82.77 -32.82 27.59 Favored 'General case' 0 C--N 1.331 -0.234 0 O-C-N 120.827 -1.171 . . . . 10.0 109.869 178.829 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.422 ' CD ' ' H ' ' A' ' 36' ' ' SER . 0.0 OUTLIER -88.0 -16.08 34.66 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 108.948 -0.76 . . . . 10.0 108.948 178.873 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 29.5 tp -61.21 -21.55 63.94 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 114.759 -1.11 . . . . 10.0 110.317 179.176 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -60.58 -40.01 90.15 Favored 'General case' 0 N--CA 1.455 -0.223 0 CA-C-N 115.871 -0.604 . . . . 10.0 111.465 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 35.5 m -93.06 -17.17 7.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.677 -0.238 . . . . 10.0 111.022 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 54.3 t80 -66.38 -32.38 73.73 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.824 0.345 . . . . 10.0 110.509 179.617 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 24.8 m-85 -58.42 -64.68 0.84 Allowed 'General case' 0 C--O 1.224 -0.263 0 CA-C-N 115.947 -0.57 . . . . 10.0 110.501 179.096 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 18.2 t -56.97 -28.6 62.48 Favored 'General case' 0 CA--C 1.535 0.389 0 CA-C-N 116.142 -0.481 . . . . 10.0 111.379 -179.209 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -67.69 -55.02 14.83 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.749 0.309 . . . . 10.0 110.547 179.217 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -68.09 -39.29 82.9 Favored 'General case' 0 C--O 1.235 0.335 0 CA-C-N 116.08 -0.509 . . . . 10.0 110.557 179.882 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -55.8 -44.91 78.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.547 0.689 . . . . 10.0 110.022 178.961 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 49' ' ' HIS . . . . . 0.432 ' O ' ' HG2' ' A' ' 53' ' ' GLU . 6.2 t60 -70.98 -43.65 67.6 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.436 -0.802 . . . . 10.0 110.584 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 17.9 tpt180 -60.75 -41.71 95.96 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.041 -0.527 . . . . 10.0 111.921 -178.947 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 11.9 tp -69.9 -37.87 76.12 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 116.582 -0.281 . . . . 10.0 110.902 -179.667 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.538 ' HA ' HD11 ' A' ' 71' ' ' ILE . . . -58.78 -51.08 71.52 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.346 -0.388 . . . . 10.0 112.011 -179.557 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 53' ' ' GLU . . . . . 0.432 ' HG2' ' O ' ' A' ' 49' ' ' HIS . 10.7 pt-20 -67.5 -32.4 73.19 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.366 -0.379 . . . . 10.0 111.541 -179.197 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 12.0 tp -73.85 -33.95 64.32 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 111.774 0.287 . . . . 10.0 111.774 -179.127 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 13.3 m -70.67 -37.05 73.62 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.804 0.335 . . . . 10.0 111.034 -179.699 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 93.6 mmm -88.87 -8.97 53.29 Favored 'General case' 0 C--O 1.235 0.299 0 CA-C-N 116.423 -0.353 . . . . 10.0 110.844 179.831 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 49.6 t30 63.19 27.15 15.52 Favored 'General case' 0 N--CA 1.465 0.322 0 CA-C-N 115.637 -0.711 . . . . 10.0 110.833 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 43.9 tttp -141.2 122.99 15.31 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.734 -0.666 . . . . 10.0 109.847 -179.872 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 7.8 mp -74.32 136.55 42.56 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.137 -0.483 . . . . 10.0 110.929 -179.473 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 52.9 m-85 -129.74 143.16 50.68 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.766 -0.652 . . . . 10.0 110.262 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 23.1 m-20 -74.77 -43.34 55.34 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 109.12 -0.696 . . . . 10.0 109.12 178.632 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 24.3 pttt -104.57 -163.03 0.93 Allowed 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.482 -0.781 . . . . 10.0 109.518 178.854 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.47 ' HA ' ' HD3' ' A' ' 64' ' ' PRO . 12.9 mm -120.9 125.19 27.14 Favored Pre-proline 0 C--N 1.324 -0.522 0 N-CA-C 111.723 0.268 . . . . 10.0 111.723 -179.285 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 64' ' ' PRO . . . . . 0.47 ' HD3' ' HA ' ' A' ' 63' ' ' ILE . 5.2 Cg_exo -80.45 133.18 9.43 Favored 'Trans proline' 0 C--N 1.349 0.58 0 C-N-CA 122.729 2.286 . . . . 10.0 110.64 176.626 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 1.1 m -58.78 -46.68 86.97 Favored 'General case' 0 C--N 1.32 -0.716 0 N-CA-C 113.507 0.929 . . . . 10.0 113.507 -178.397 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 97.7 p -80.82 23.5 0.54 Allowed 'General case' 0 C--O 1.26 1.649 0 O-C-N 121.375 -0.828 . . . . 0.0 110.981 -176.346 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.412 HG12 ' O ' ' A' ' 64' ' ' PRO . 1.8 p -101.83 -19.52 5.98 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.096 0 CA-C-N 120.924 1.693 . . . . 10.0 111.418 -179.809 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 68' ' ' TRP . . . . . 0.463 ' CZ2' ' HE2' ' C' ' 32' ' ' LYS . 81.5 m95 -70.59 -8.79 54.21 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 112.419 0.525 . . . . 10.0 112.419 -178.316 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 14.6 tppt? -82.95 -17.49 43.38 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.196 0.522 . . . . 10.0 110.169 179.445 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 40.1 m-85 -94.13 -3.6 50.74 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 120.851 0.358 . . . . 10.0 110.885 -179.611 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.538 HD11 ' HA ' ' A' ' 52' ' ' ALA . 29.4 mt -109.2 139.03 33.68 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 CA-C-N 116.223 -0.444 . . . . 10.0 110.69 -179.17 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 46.3 mtp180 . . . . . 0 C--O 1.25 1.086 0 CA-C-O 118.532 -0.747 . . . . 10.0 110.289 -179.714 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.886 0.374 . . . . 10.0 110.21 . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . -67.01 -46.02 75.77 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 115.969 -0.56 . . . . 10.0 110.705 -179.811 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 8.7 mp -76.54 -14.06 60.04 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.136 -0.484 . . . . 10.0 111.316 -179.811 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 60.5 tttt -72.51 -49.6 31.71 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.185 -0.461 . . . . 10.0 110.5 -179.828 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 7' ' ' ILE . . . . . . . . . . . . . 34.6 pt -76.16 -20.4 15.32 Favored 'Isoleucine or valine' 0 C--O 1.232 0.181 0 CA-C-N 116.352 -0.385 . . . . 10.0 111.112 -179.769 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 5.5 tp -77.26 -20.19 55.48 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.973 -0.558 . . . . 10.0 111.084 -179.786 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 9' ' ' ASN . . . . . . . . . . . . . 46.2 t30 -93.25 24.08 4.05 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.754 0.312 . . . . 10.0 111.657 -179.036 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 10' ' ' ASN . . . . . . . . . . . . . 28.4 t-20 -148.63 120.35 8.08 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 109.917 -0.401 . . . . 10.0 109.917 178.354 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 11' ' ' ILE . . . . . 0.4 ' H ' HG12 ' B' ' 11' ' ' ILE . 3.4 pt -63.49 -34.32 66.75 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 N-CA-C 113.088 0.773 . . . . 10.0 113.088 -178.21 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 12' ' ' ARG . . . . . . . . . . . . . 51.2 mtt180 -64.63 -40.07 94.81 Favored 'General case' 0 C--N 1.325 -0.486 0 C-N-CA 121.033 -0.267 . . . . 10.0 111.572 -178.488 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 13' ' ' THR . . . . . . . . . . . . . 1.4 p -80.4 -40.13 27.03 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 121.222 0.534 . . . . 10.0 111.167 179.335 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 14' ' ' LEU . . . . . 0.407 HD21 HD13 ' C' ' 33' ' ' LEU . 18.2 tp -67.37 -35.54 79.55 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.794 -0.639 . . . . 10.0 111.885 -178.579 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 15' ' ' ARG . . . . . 0.431 ' O ' ' HG2' ' B' ' 19' ' ' ARG . 18.1 mtt180 -57.76 -40.99 81.02 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.528 0.204 . . . . 10.0 111.078 -179.892 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 16' ' ' ALA . . . . . . . . . . . . . . . -75.93 -35.3 59.79 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.098 0.475 . . . . 10.0 111.151 -179.72 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 17' ' ' GLN . . . . . . . . . . . . . 26.6 tp60 -67.89 -34.87 77.49 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.007 -0.542 . . . . 10.0 111.376 -179.666 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -78.67 2.57 19.07 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 112.602 0.593 . . . . 10.0 112.602 -178.843 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 19' ' ' ARG . . . . . 0.431 ' HG2' ' O ' ' B' ' 15' ' ' ARG . 21.5 mmm180 -87.91 -9.83 52.47 Favored 'General case' 0 C--N 1.327 -0.397 0 C-N-CA 120.644 -0.422 . . . . 10.0 110.615 179.531 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 4.3 pt-20 -96.63 -0.99 47.72 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.971 0.415 . . . . 10.0 110.848 179.747 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 21' ' ' CYS . . . . . . . . . . . . . 79.4 m -123.46 140.04 53.41 Favored 'General case' 0 CA--C 1.51 -0.57 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.013 178.952 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 22' ' ' THR . . . . . 0.555 ' HB ' ' OE1' ' B' ' 24' ' ' GLU . 0.0 OUTLIER -71.57 163.19 28.2 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 116.322 -0.399 . . . . 10.0 111.082 178.866 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 46.7 tp -58.96 -32.34 69.55 Favored 'General case' 0 C--O 1.224 -0.268 0 CA-C-N 116.532 -0.303 . . . . 10.0 111.239 -179.217 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 24' ' ' GLU . . . . . 0.555 ' OE1' ' HB ' ' B' ' 22' ' ' THR . 29.0 mp0 -56.35 -47.51 78.69 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.854 0.359 . . . . 10.0 111.374 -179.459 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 1.6 m -72.74 -37.75 67.62 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.944 0.402 . . . . 10.0 110.878 179.693 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 97.2 mt -63.86 -44.18 93.88 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.988 -0.551 . . . . 10.0 110.762 -179.747 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 19.2 tt0 -65.13 -43.37 92.13 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.701 -0.681 . . . . 10.0 110.564 179.89 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 18.3 tt0 -62.11 -46.89 87.03 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.714 -0.676 . . . . 10.0 111.032 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 29' ' ' MET . . . . . . . . . . . . . 14.3 ptp -68.44 -28.55 67.15 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.691 -0.231 . . . . 10.0 110.627 -179.747 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 64.9 tp -64.65 -53.24 50.59 Favored 'General case' 0 N--CA 1.452 -0.373 0 CA-C-N 116.457 -0.338 . . . . 10.0 110.204 179.776 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 38.8 mt-10 -61.15 -38.19 85.53 Favored 'General case' 0 C--O 1.234 0.282 0 CA-C-N 116.111 -0.495 . . . . 10.0 110.157 179.576 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 3.8 ttmt -63.14 -46.5 86.95 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.491 -0.777 . . . . 10.0 110.633 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 33.4 tp -68.24 -34.87 77.01 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.136 0.493 . . . . 10.0 109.939 179.219 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 37.6 tt0 -60.34 -48.47 81.61 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.629 -0.714 . . . . 10.0 110.906 179.618 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 35' ' ' VAL . . . . . . . . . . . . . 23.3 m -67.78 -29.13 44.04 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.148 0 C-N-CA 120.746 -0.382 . . . . 10.0 110.704 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 24.0 t -69.16 -48.41 69.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-O 121.124 0.488 . . . . 10.0 109.86 178.96 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 76.0 t -67.71 -38.55 80.51 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-N 116.092 -0.504 . . . . 10.0 110.028 179.152 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 19.5 t30 -62.2 -38.03 87.58 Favored 'General case' 0 C--O 1.234 0.287 0 N-CA-C 109.562 -0.532 . . . . 10.0 109.562 178.534 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 39' ' ' GLU . . . . . 0.523 ' O ' ' HG3' ' B' ' 43' ' ' GLU . 5.5 tt0 -61.84 -45.03 95.58 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 108.946 -0.761 . . . . 10.0 108.946 178.307 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 21.2 mmm-85 -62.34 -41.76 98.84 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.171 -0.922 . . . . 10.0 109.521 178.718 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 41' ' ' ARG . . . . . . . . . . . . . 94.5 mtt180 -55.89 -44.83 78.55 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-N 115.772 -0.649 . . . . 10.0 109.893 179.151 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 2.2 tp10 -62.22 -42.07 98.97 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.882 -0.599 . . . . 10.0 110.602 179.807 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 43' ' ' GLU . . . . . 0.523 ' HG3' ' O ' ' B' ' 39' ' ' GLU . 32.3 mt-10 -67.62 -39.0 84.71 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.83 0.348 . . . . 10.0 110.416 179.594 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -69.44 -37.03 77.19 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.673 -0.694 . . . . 10.0 111.431 -179.47 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 45' ' ' SER . . . . . . . . . . . . . 34.3 p -99.4 21.1 12.57 Favored 'General case' 0 N--CA 1.464 0.241 0 CA-C-O 120.95 0.405 . . . . 10.0 111.678 -179.313 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.321 -0.662 0 CA-C-O 120.925 0.393 . . . . 10.0 110.826 -179.973 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' C' C ' 3' ' ' GLU . . . . . 0.458 ' O ' HG12 ' C' ' 7' ' ' ILE . 2.8 mp0 . . . . . 0 C--O 1.232 0.157 0 CA-C-O 120.97 0.414 . . . . 10.0 110.931 . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 4' ' ' ALA . . . . . . . . . . . . . . . -56.21 -44.0 79.06 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.793 -0.64 . . . . 10.0 111.84 -179.771 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 5' ' ' LEU . . . . . . . . . . . . . 93.0 mt -71.05 -29.86 65.87 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.682 0.277 . . . . 10.0 111.668 -179.082 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 6' ' ' LYS . . . . . . . . . . . . . 9.5 tptm -67.09 -36.36 81.8 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.014 0.435 . . . . 10.0 110.935 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 7' ' ' ILE . . . . . 0.458 HG12 ' O ' ' C' ' 3' ' ' GLU . 43.0 mm -68.03 -31.37 51.6 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 115.828 -0.623 . . . . 10.0 111.073 -179.891 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 8' ' ' LEU . . . . . . . . . . . . . 6.4 mp -76.31 -13.94 60.13 Favored 'General case' 0 C--O 1.235 0.305 0 CA-C-N 116.091 -0.504 . . . . 10.0 111.759 -179.372 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 9' ' ' ASN . . . . . . . . . . . . . 25.8 t-20 -81.26 -19.85 42.19 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.047 0.451 . . . . 10.0 110.375 179.786 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 10' ' ' ASN . . . . . . . . . . . . . 69.9 m-20 -96.39 119.41 34.82 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.088 0.471 . . . . 10.0 110.987 -179.699 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 11' ' ' ILE . . . . . . . . . . . . . 4.8 tp -62.94 -28.18 44.56 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.189 0 CA-C-N 115.872 -0.604 . . . . 10.0 111.022 -179.913 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 12' ' ' ARG . . . . . . . . . . . . . 26.3 mmt180 -62.99 -48.48 78.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.244 -0.434 . . . . 10.0 111.384 -179.712 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 13' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -75.93 -38.94 57.14 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 120.649 0.262 . . . . 10.0 111.546 -179.311 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 14' ' ' LEU . . . . . . . . . . . . . 13.1 tp -61.82 -41.88 98.33 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.843 0.354 . . . . 10.0 110.686 -179.783 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 15' ' ' ARG . . . . . 0.414 HH11 ' HD2' ' C' ' 15' ' ' ARG . 20.8 ttm180 -71.92 -7.8 50.66 Favored 'General case' 0 CA--C 1.534 0.352 0 CA-C-O 121.351 0.596 . . . . 10.0 110.598 179.779 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 16' ' ' ALA . . . . . . . . . . . . . . . -100.89 -45.05 5.56 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.124 -0.489 . . . . 10.0 111.126 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 17' ' ' GLN . . . . . . . . . . . . . 96.8 mt-30 -69.62 -31.62 69.84 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.245 -0.434 . . . . 10.0 111.418 -179.388 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 18' ' ' ALA . . . . . . . . . . . . . . . -70.39 -0.66 8.68 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 112.523 0.564 . . . . 10.0 112.523 -179.205 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 19' ' ' ARG . . . . . . . . . . . . . 67.3 mtt180 -86.38 -16.17 38.11 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.032 0.444 . . . . 10.0 110.262 179.442 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 20' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -74.63 -63.19 1.3 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.668 -0.696 . . . . 10.0 110.838 179.644 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 21' ' ' CYS . . . . . . . . . . . . . 74.4 m -70.29 157.79 37.07 Favored 'General case' 0 CA--C 1.51 -0.572 0 CA-C-O 122.254 1.025 . . . . 0.0 110.951 -179.357 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 22' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -83.8 167.9 16.67 Favored 'General case' 0 N--CA 1.45 -0.444 0 CA-C-N 114.758 -1.11 . . . . 10.0 110.302 178.027 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 21.4 tp -54.87 -43.11 72.83 Favored 'General case' 0 C--N 1.332 -0.159 0 O-C-N 123.142 0.276 . . . . 10.0 111.733 -179.4 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 24' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -50.0 -58.16 6.05 Favored 'General case' 0 N--CA 1.465 0.276 0 O-C-N 123.492 0.495 . . . . 10.0 111.652 -179.849 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 25' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -62.22 -36.12 81.01 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.096 -0.502 . . . . 10.0 111.969 -179.009 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 26' ' ' LEU . . . . . . . . . . . . . 76.6 mt -65.4 -42.94 92.05 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.85 0.357 . . . . 10.0 110.628 179.85 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 27' ' ' GLU . . . . . 0.511 ' O ' ' HG3' ' C' ' 31' ' ' GLU . 12.1 mt-10 -67.94 -47.21 69.32 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.03 -0.532 . . . . 10.0 110.347 179.782 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 28' ' ' GLU . . . . . . . . . . . . . 9.0 tt0 -53.77 -46.65 71.05 Favored 'General case' 0 N--CA 1.462 0.163 0 O-C-N 123.404 0.44 . . . . 10.0 111.073 -179.623 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 29' ' ' MET . . . . . . . . . . . . . 16.0 ptp -75.19 -30.61 60.7 Favored 'General case' 0 C--N 1.328 -0.342 0 C-N-CA 121.218 -0.193 . . . . 10.0 111.357 -179.51 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 30' ' ' LEU . . . . . . . . . . . . . 19.8 tp -64.04 -45.5 88.57 Favored 'General case' 0 C--O 1.234 0.247 0 CA-C-O 121.055 0.455 . . . . 10.0 110.205 179.265 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 31' ' ' GLU . . . . . 0.511 ' HG3' ' O ' ' C' ' 27' ' ' GLU . 65.1 mt-10 -63.69 -32.28 73.71 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.599 -0.728 . . . . 10.0 110.383 179.847 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 32' ' ' LYS . . . . . 0.599 ' O ' HG23 ' C' ' 36' ' ' VAL . 29.0 mttt -73.79 -33.16 64.1 Favored 'General case' 0 N--CA 1.452 -0.36 0 CA-C-N 115.868 -0.605 . . . . 10.0 110.631 179.637 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 33' ' ' LEU . . . . . 0.407 HD13 HD21 ' B' ' 14' ' ' LEU . 63.3 tp -76.64 -42.44 42.06 Favored 'General case' 0 C--O 1.235 0.312 0 CA-C-O 120.571 0.224 . . . . 10.0 110.786 179.474 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 34' ' ' GLU . . . . . 0.417 ' HG2' ' HA ' ' C' ' 31' ' ' GLU . 8.7 pt-20 -63.01 -33.18 74.87 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.405 -0.361 . . . . 10.0 110.786 -179.236 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 35' ' ' VAL . . . . . 0.556 HG12 ' O ' ' C' ' 32' ' ' LYS . 2.9 p -71.17 -33.64 51.73 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.262 0 C-N-CA 120.74 -0.384 . . . . 10.0 110.497 179.685 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 36' ' ' VAL . . . . . 0.599 HG23 ' O ' ' C' ' 32' ' ' LYS . 96.7 t -69.35 -45.63 78.54 Favored 'Isoleucine or valine' 0 C--O 1.234 0.246 0 N-CA-C 109.652 -0.499 . . . . 10.0 109.652 179.229 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 37' ' ' VAL . . . . . . . . . . . . . 59.0 t -62.85 -37.68 79.84 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.324 0 N-CA-C 109.229 -0.656 . . . . 10.0 109.229 178.888 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 38' ' ' ASN . . . . . 0.471 ' O ' ' HG3' ' C' ' 42' ' ' GLU . 13.4 t-20 -58.38 -45.5 88.19 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 115.944 -0.571 . . . . 10.0 109.901 178.776 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 39' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -58.97 -41.63 88.0 Favored 'General case' 0 N--CA 1.461 0.116 0 CA-C-N 116.306 -0.406 . . . . 10.0 110.148 179.17 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 40' ' ' ARG . . . . . 0.555 ' HD2' ' OE1' ' C' ' 43' ' ' GLU . 7.1 mmm180 -64.89 -36.51 84.58 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.489 -0.778 . . . . 10.0 110.625 179.769 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 41' ' ' ARG . . . . . . . . . . . . . 4.9 mmm180 -61.82 -38.65 88.95 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.912 -0.585 . . . . 10.0 110.418 179.715 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 42' ' ' GLU . . . . . 0.471 ' HG3' ' O ' ' C' ' 38' ' ' ASN . 6.1 mt-10 -67.99 -29.72 68.81 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.03 -0.532 . . . . 10.0 110.815 -179.611 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 43' ' ' GLU . . . . . 0.555 ' OE1' ' HD2' ' C' ' 40' ' ' ARG . 48.5 mt-10 -72.15 -54.74 8.81 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.275 0.559 . . . . 10.0 109.944 179.325 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 44' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -60.79 -38.05 84.0 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.342 -0.845 . . . . 10.0 112.135 -179.506 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 45' ' ' SER . . . . . . . . . . . . . 50.5 m -83.94 3.73 32.79 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 112.324 0.49 . . . . 10.0 112.324 -179.241 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 46' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.476 0 CA-C-O 121.093 0.473 . . . . 10.0 110.322 179.325 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.659 ' N ' ' HH ' ' A' ' 11' ' ' TYR . 6.9 mp . . . . . 0 N--CA 1.479 1.008 0 N-CA-C 110.275 -0.269 . . . . 10.0 110.275 . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -71.87 154.07 41.48 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.175 -0.466 . . . . 10.0 110.995 -179.902 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.541 ' HD2' ' CB ' ' A' ' 45' ' ' SER . 21.0 ttpt -60.68 -38.64 85.6 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.344 0.592 . . . . 10.0 110.581 179.908 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -68.07 -28.55 67.46 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.332 -0.849 . . . . 10.0 111.818 -179.803 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -62.63 -46.7 87.06 Favored 'General case' 0 N--CA 1.463 0.213 0 CA-C-O 120.87 0.367 . . . . 10.0 110.828 -179.492 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.659 ' HH ' ' N ' ' A' ' 6' ' ' LEU . 27.8 m-85 -72.48 -40.68 66.74 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 109.607 -0.516 . . . . 10.0 109.607 179.163 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 55.7 tp -57.6 -48.5 79.23 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.392 -0.822 . . . . 10.0 111.285 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 62.9 mmm -65.8 -35.89 81.96 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.671 0.272 . . . . 10.0 111.308 -179.644 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.68 -31.99 73.02 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.138 0.494 . . . . 10.0 109.931 179.212 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 96.4 mt -86.34 -5.83 59.08 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.147 -0.479 . . . . 10.0 111.171 179.72 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -70.69 -16.71 62.82 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.753 0.311 . . . . 10.0 111.019 -179.747 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.404 HH11 ' HD3' ' A' ' 17' ' ' ARG . 17.2 mtm-85 -90.59 -3.36 57.62 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.139 0.495 . . . . 10.0 110.433 179.847 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 46.3 m -89.9 119.24 30.1 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.825 -0.625 . . . . 10.0 110.064 179.618 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 3.7 mm-40 -119.24 -175.19 2.88 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.927 -0.579 . . . . 10.0 110.979 -179.338 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 1.2 m 67.31 -4.4 0.88 Allowed 'General case' 0 N--CA 1.472 0.643 0 N-CA-C 113.196 0.813 . . . . 10.0 113.196 178.706 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 90.4 mt 70.61 -54.42 0.27 Allowed 'Isoleucine or valine' 0 N--CA 1.469 0.518 0 C-N-CA 122.985 0.514 . . . . 10.0 111.674 -179.719 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' ASP . . . . . 0.444 ' O ' ' HG3' ' A' ' 26' ' ' ARG . 34.7 t70 -56.43 -42.35 77.92 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.794 0.33 . . . . 10.0 111.029 179.863 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 3.3 m -60.9 -30.54 70.24 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.011 0.434 . . . . 10.0 110.744 179.694 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 22.6 tp -75.79 -44.13 42.86 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 109.555 -0.535 . . . . 10.0 109.555 179.22 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 7.7 tp10 -59.07 -31.3 68.75 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.643 -0.708 . . . . 10.0 110.626 179.909 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.444 ' HG3' ' O ' ' A' ' 22' ' ' ASP . 77.7 mtt180 -74.76 -48.95 22.79 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.294 -0.412 . . . . 10.0 111.682 179.723 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 9.8 p -64.52 -35.3 74.15 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.36 0 N-CA-C 112.422 0.527 . . . . 10.0 112.422 -178.028 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 50.6 pt -69.8 -27.4 33.12 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.123 0 O-C-N 122.161 -0.337 . . . . 10.0 110.591 179.873 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 51.6 tp10 -71.01 -39.65 72.28 Favored 'General case' 0 N--CA 1.456 -0.161 0 N-CA-C 109.508 -0.553 . . . . 10.0 109.508 179.232 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 20.7 mtpp -65.32 -48.47 72.97 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.782 -0.645 . . . . 10.0 110.224 179.32 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' ASN . . . . . 0.412 ' O ' ' HG ' ' A' ' 35' ' ' LEU . 7.2 m-80 -62.35 -25.76 68.08 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.576 -0.738 . . . . 10.0 111.196 -179.646 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 33.4 ttmt -59.47 -29.82 68.09 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.853 0.358 . . . . 10.0 110.964 179.695 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 29.9 m-85 -110.29 -2.2 16.87 Favored 'General case' 0 CA--C 1.531 0.229 0 CA-C-O 120.881 0.372 . . . . 10.0 111.347 -179.229 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 69.4 mt-10 -103.68 -23.32 13.46 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.663 -0.244 . . . . 10.0 111.386 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.412 ' HG ' ' O ' ' A' ' 31' ' ' ASN . 45.6 mt -73.72 154.1 39.77 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.939 0.399 . . . . 10.0 111.279 -179.389 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -86.57 19.85 2.7 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.953 -0.567 . . . . 10.0 111.804 -179.066 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 97.8 m-20 71.22 -41.42 0.5 Allowed 'General case' 0 C--O 1.259 1.593 0 C-N-CA 124.966 1.306 . . . . 0.0 111.033 177.661 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 30.6 p-10 -57.63 -52.51 65.14 Favored 'General case' 0 C--N 1.319 -0.722 0 O-C-N 120.274 -1.516 . . . . 10.0 111.626 -178.576 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -82.44 2.42 32.71 Favored 'General case' 0 C--N 1.331 -0.221 0 N-CA-C 111.9 0.333 . . . . 10.0 111.9 -179.332 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 41.8 tp -66.95 -23.04 65.91 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.162 0.506 . . . . 10.0 109.911 179.292 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -67.8 -49.69 60.99 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.713 -0.676 . . . . 10.0 110.934 179.848 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -73.96 -26.22 21.01 Favored 'Isoleucine or valine' 0 C--O 1.232 0.15 0 CA-C-O 121.018 0.437 . . . . 10.0 110.664 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 45.7 t80 -68.33 -33.09 73.67 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.013 -0.54 . . . . 10.0 110.093 179.054 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 2.2 m-85 -57.11 -52.6 64.65 Favored 'General case' 0 N--CA 1.462 0.161 0 CA-C-N 116.036 -0.529 . . . . 10.0 110.334 179.281 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' SER . . . . . 0.541 ' CB ' ' HD2' ' A' ' 8' ' ' LYS . 71.7 m -60.25 -35.59 75.85 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.655 -0.702 . . . . 10.0 111.517 179.804 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -66.02 -44.88 83.42 Favored 'General case' 0 C--O 1.235 0.336 0 CA-C-O 120.941 0.401 . . . . 10.0 110.355 179.499 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -66.68 -46.65 74.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.539 -0.755 . . . . 10.0 110.292 179.299 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 30.4 m-20 -57.43 -47.51 81.58 Favored 'General case' 0 C--O 1.231 0.108 0 CA-C-N 115.902 -0.59 . . . . 10.0 110.568 179.552 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' HIS . . . . . 0.558 ' O ' ' HG2' ' A' ' 53' ' ' GLU . 17.3 t-80 -60.77 -52.61 64.38 Favored 'General case' 0 CA--C 1.521 -0.149 0 CA-C-N 116.045 -0.525 . . . . 10.0 110.635 -179.885 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 27.6 tpt180 -59.89 -43.8 94.6 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.245 -0.434 . . . . 10.0 111.458 -178.696 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.561 HD21 ' HG3' ' A' ' 72' ' ' ARG . 53.4 tp -60.56 -43.25 97.46 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 120.548 0.213 . . . . 10.0 111.485 -179.333 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -58.92 -52.62 64.94 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.428 -0.351 . . . . 10.0 111.578 -179.808 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' GLU . . . . . 0.558 ' HG2' ' O ' ' A' ' 49' ' ' HIS . 5.7 pt-20 -72.86 -24.32 60.85 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.29 -0.414 . . . . 10.0 111.642 -179.027 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 13.7 tp -73.06 -40.5 65.02 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.622 -0.263 . . . . 10.0 110.683 179.897 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 15.7 m -66.03 -38.54 88.65 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.17 0.51 . . . . 10.0 110.518 179.737 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 80.6 mmm -81.82 -17.18 48.37 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.835 -0.621 . . . . 10.0 110.4 179.338 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 54.1 t30 62.99 40.42 9.3 Favored 'General case' 0 N--CA 1.466 0.346 0 CA-C-N 115.578 -0.737 . . . . 10.0 110.638 -179.591 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 21.0 tptp -151.13 124.65 8.96 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.399 -0.819 . . . . 10.0 109.087 -179.704 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 6.0 mp -76.12 130.55 38.46 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 120.918 0.389 . . . . 10.0 111.447 -178.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 68.2 m-85 -125.4 144.7 50.39 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.976 -0.556 . . . . 10.0 110.455 179.711 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -63.55 -59.75 4.23 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 121.134 0.492 . . . . 10.0 110.0 179.18 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 7.3 ttpp -113.42 148.08 36.54 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 107.723 -1.214 . . . . 10.0 107.723 177.466 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 45.0 mm -80.99 120.05 77.72 Favored Pre-proline 0 C--N 1.317 -0.822 0 C-N-CA 120.794 -0.362 . . . . 10.0 110.826 -179.342 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' PRO . . . . . 0.449 ' O ' HG12 ' A' ' 67' ' ' VAL . 24.6 Cg_exo -62.42 133.84 45.16 Favored 'Trans proline' 0 N--CA 1.465 -0.201 0 C-N-CA 122.409 2.073 . . . . 10.0 111.424 178.805 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -57.57 -28.59 63.7 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 120.92 0.391 . . . . 10.0 111.832 -179.215 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 94.1 p -81.26 -12.47 59.09 Favored 'General case' 0 C--O 1.252 1.205 0 C-N-CA 122.933 0.493 . . . . 0.0 110.982 -178.256 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.449 HG12 ' O ' ' A' ' 64' ' ' PRO . 0.7 OUTLIER -92.82 -10.29 9.6 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.892 0 CA-C-N 119.577 1.08 . . . . 10.0 111.35 -177.622 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 68' ' ' TRP . . . . . 0.402 ' HB2' HG11 ' C' ' 35' ' ' VAL . 22.1 m95 -64.32 -19.71 65.61 Favored 'General case' 0 CA--C 1.531 0.229 0 CA-C-O 121.156 0.503 . . . . 10.0 111.24 -179.921 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 14.9 tptp -74.67 -2.96 28.56 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.141 -0.481 . . . . 10.0 112.023 -178.79 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 62.9 m-85 -107.04 10.87 30.19 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 111.909 0.337 . . . . 10.0 111.909 -179.209 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 1.6 mp -84.26 134.44 26.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-O 120.794 0.33 . . . . 10.0 110.76 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 72' ' ' ARG . . . . . 0.561 ' HG3' HD21 ' A' ' 51' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--O 1.25 1.091 0 CA-C-O 118.473 -0.775 . . . . 10.0 110.654 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 3.5 pm0 . . . . . 0 C--O 1.232 0.178 0 CA-C-O 120.887 0.375 . . . . 10.0 111.2 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . -62.14 -41.43 98.26 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.171 -0.468 . . . . 10.0 111.585 -179.351 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 5' ' ' LEU . . . . . 0.426 ' HA ' ' HB3' ' B' ' 8' ' ' LEU . 5.2 mp -84.95 0.18 52.15 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.275 -0.421 . . . . 10.0 111.634 -179.113 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 8.1 tttt -76.29 -41.13 49.75 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.898 0.38 . . . . 10.0 110.44 -179.751 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 7' ' ' ILE . . . . . . . . . . . . . 23.0 pt -90.22 -10.55 10.21 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-O 121.089 0.471 . . . . 10.0 110.53 179.475 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 8' ' ' LEU . . . . . 0.426 ' HB3' ' HA ' ' B' ' 5' ' ' LEU . 34.5 tp -82.07 -11.8 58.59 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.376 -0.829 . . . . 10.0 110.398 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 9' ' ' ASN . . . . . . . . . . . . . 65.5 t30 -84.71 5.87 26.51 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.792 -0.64 . . . . 10.0 112.009 -178.77 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 10' ' ' ASN . . . . . 0.47 ' OD1' ' HB2' ' B' ' 12' ' ' ARG . 23.2 t-20 -140.04 136.43 33.66 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 121.133 0.492 . . . . 10.0 111.36 179.863 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 46.6 mt -68.7 -40.42 81.59 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-N 115.458 -0.792 . . . . 10.0 112.229 -178.722 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 12' ' ' ARG . . . . . 0.47 ' HB2' ' OD1' ' B' ' 10' ' ' ASN . 96.6 mtt180 -60.85 -43.95 97.66 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.602 0.239 . . . . 10.0 111.472 -178.544 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 13' ' ' THR . . . . . . . . . . . . . 2.4 p -74.67 -34.03 62.6 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.748 0.309 . . . . 10.0 111.124 179.673 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 14' ' ' LEU . . . . . 0.433 HD21 HD13 ' C' ' 33' ' ' LEU . 8.9 tp -66.73 -39.78 88.12 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.258 -0.428 . . . . 10.0 111.517 -179.713 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 63.6 mtt180 -56.8 -36.39 69.83 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.368 -0.378 . . . . 10.0 110.926 179.905 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 16' ' ' ALA . . . . . . . . . . . . . . . -66.43 -51.9 52.13 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.868 -0.605 . . . . 10.0 111.663 -179.297 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 17' ' ' GLN . . . . . 0.492 ' O ' ' HG2' ' B' ' 20' ' ' GLU . 0.7 OUTLIER -67.79 -24.43 65.31 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.732 -0.213 . . . . 10.0 111.52 -179.058 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -76.22 1.08 16.89 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 112.151 0.426 . . . . 10.0 112.151 -179.543 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 28.5 mmt180 -90.21 -17.19 27.96 Favored 'General case' 0 C--N 1.328 -0.363 0 C-N-CA 121.135 -0.226 . . . . 10.0 111.372 -179.689 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 20' ' ' GLU . . . . . 0.492 ' HG2' ' O ' ' B' ' 17' ' ' GLN . 12.9 pt-20 -93.88 -1.88 54.16 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.245 0.545 . . . . 10.0 110.979 179.878 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 21' ' ' CYS . . . . . 1.391 ' SG ' ' HB ' ' B' ' 25' ' ' THR . 53.8 t -117.28 137.49 52.37 Favored 'General case' 0 CA--C 1.51 -0.585 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.003 178.856 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 1.7 m -73.69 158.16 35.2 Favored 'General case' 0 C--N 1.316 -0.851 0 O-C-N 123.898 0.749 . . . . 10.0 109.959 178.783 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 44.2 tp -53.75 -37.45 63.4 Favored 'General case' 0 C--N 1.333 -0.134 0 CA-C-O 120.735 0.302 . . . . 10.0 110.605 179.831 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 7.4 tp10 -57.46 -48.75 78.34 Favored 'General case' 0 C--O 1.235 0.298 0 CA-C-N 115.745 -0.661 . . . . 10.0 110.809 179.395 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 25' ' ' THR . . . . . 1.391 ' HB ' ' SG ' ' B' ' 21' ' ' CYS . 0.2 OUTLIER -65.54 -38.01 88.37 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.05 -0.523 . . . . 10.0 110.804 -179.93 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 86.7 mt -63.85 -47.88 78.99 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.97 -0.559 . . . . 10.0 110.659 179.912 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 27' ' ' GLU . . . . . 0.496 ' OE1' ' HD3' ' C' ' 41' ' ' ARG . 4.9 tp10 -62.58 -36.69 83.5 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.967 0.413 . . . . 10.0 110.214 179.097 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -65.3 -49.92 67.65 Favored 'General case' 0 C--O 1.234 0.261 0 CA-C-N 115.678 -0.692 . . . . 10.0 110.743 179.839 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 29' ' ' MET . . . . . . . . . . . . . 5.3 ppp? -72.36 -25.44 61.53 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.531 -0.304 . . . . 10.0 111.753 -178.873 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 62.9 tp -64.36 -44.68 90.66 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.919 0.39 . . . . 10.0 110.001 179.325 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 31' ' ' GLU . . . . . 0.426 ' O ' HG22 ' B' ' 35' ' ' VAL . 38.8 mt-10 -64.09 -33.24 75.32 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.843 -0.617 . . . . 10.0 109.717 178.98 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 39.2 mmtm -62.59 -43.23 99.32 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.611 -0.722 . . . . 10.0 110.456 179.245 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 33' ' ' LEU . . . . . 0.426 ' O ' HG23 ' B' ' 37' ' ' VAL . 43.4 tp -75.5 -38.95 59.12 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.377 -0.374 . . . . 10.0 110.549 179.907 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 3.9 tp10 -55.18 -50.34 69.6 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.195 -0.457 . . . . 10.0 111.201 -179.818 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 35' ' ' VAL . . . . . 0.558 ' O ' ' HG3' ' B' ' 39' ' ' GLU . 12.3 m -63.29 -33.16 59.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 C-N-CA 120.897 -0.321 . . . . 10.0 111.206 -179.895 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 35.1 t -67.8 -44.82 85.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 N-CA-C 109.965 -0.383 . . . . 10.0 109.965 179.376 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 37' ' ' VAL . . . . . 0.426 HG23 ' O ' ' B' ' 33' ' ' LEU . 61.5 t -64.3 -38.34 82.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.413 0 N-CA-C 109.197 -0.668 . . . . 10.0 109.197 178.459 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 29.7 t-20 -61.64 -44.7 96.48 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.582 -0.735 . . . . 10.0 109.713 178.727 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 39' ' ' GLU . . . . . 0.558 ' HG3' ' O ' ' B' ' 35' ' ' VAL . 40.4 mt-10 -62.47 -47.22 84.96 Favored 'General case' 0 C--O 1.232 0.179 0 CA-C-O 121.007 0.432 . . . . 10.0 110.427 179.004 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 40' ' ' ARG . . . . . 0.419 ' HB3' HD13 ' C' ' 23' ' ' LEU . 17.4 mmm-85 -61.09 -48.04 83.54 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.906 -0.588 . . . . 10.0 110.588 179.283 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 41' ' ' ARG . . . . . 0.407 ' HG3' HD11 ' C' ' 23' ' ' LEU . 36.9 mtt180 -61.23 -40.42 93.96 Favored 'General case' 0 C--N 1.333 -0.141 0 CA-C-N 116.368 -0.378 . . . . 10.0 110.89 179.638 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 21.2 tp10 -60.9 -47.85 84.49 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.331 -0.395 . . . . 10.0 110.815 179.88 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 90.5 mt-10 -70.69 -27.07 63.72 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 116.242 -0.435 . . . . 10.0 111.347 -179.876 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 2.3 tp10 -76.76 -32.83 57.99 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.204 -0.453 . . . . 10.0 111.014 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 45' ' ' SER . . . . . . . . . . . . . 4.3 p -83.58 -47.33 11.41 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.402 -0.363 . . . . 10.0 110.854 -179.626 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.322 0 CA-C-O 121.25 0.548 . . . . 10.0 110.729 179.891 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' C' C ' 3' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.15 0 N-CA-C 109.776 -0.453 . . . . 10.0 109.776 . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 4' ' ' ALA . . . . . . . . . . . . . . . -72.34 -34.43 68.03 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.739 -0.664 . . . . 10.0 111.333 -179.271 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 5' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -72.16 -19.37 61.77 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.45 -0.341 . . . . 10.0 111.641 -179.56 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 6' ' ' LYS . . . . . . . . . . . . . 22.2 tptm -69.34 -33.12 72.63 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.734 0.302 . . . . 10.0 111.46 -178.936 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 7' ' ' ILE . . . . . . . . . . . . . 29.6 pt -86.49 -10.11 11.18 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 C-N-CA 120.966 -0.293 . . . . 10.0 111.427 -179.439 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 8' ' ' LEU . . . . . . . . . . . . . 2.9 mp -77.82 -20.7 52.73 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.207 0.527 . . . . 10.0 110.266 179.598 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 9' ' ' ASN . . . . . . . . . . . . . 28.1 t-20 -80.84 -15.5 56.21 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.663 0.744 . . . . 10.0 109.664 178.789 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 10' ' ' ASN . . . . . . . . . . . . . 7.4 m-80 -90.66 114.47 26.77 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.218 -0.901 . . . . 10.0 110.466 -179.419 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 11' ' ' ILE . . . . . . . . . . . . . 9.3 tp -63.63 -27.04 42.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-N 115.88 -0.6 . . . . 10.0 111.14 -179.664 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 12' ' ' ARG . . . . . . . . . . . . . 16.6 mmt180 -65.97 -42.89 89.32 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.152 -0.476 . . . . 10.0 111.496 -179.374 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 13' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -82.11 -35.33 28.67 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 120.854 0.359 . . . . 10.0 110.899 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 14' ' ' LEU . . . . . . . . . . . . . 10.2 tp -62.58 -37.92 88.1 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.952 0.406 . . . . 10.0 110.451 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 15' ' ' ARG . . . . . . . . . . . . . 16.3 mtt180 -67.78 -15.67 63.75 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.088 -0.505 . . . . 10.0 111.262 179.476 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 16' ' ' ALA . . . . . . . . . . . . . . . -98.33 -39.52 8.77 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.921 0.391 . . . . 10.0 110.912 179.909 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 17' ' ' GLN . . . . . . . . . . . . . 20.9 mm-40 -64.91 -35.89 82.61 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.002 -0.545 . . . . 10.0 111.121 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 18' ' ' ALA . . . . . . . . . . . . . . . -74.72 10.26 1.47 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.105 -0.498 . . . . 10.0 112.127 -179.355 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 19' ' ' ARG . . . . . . . . . . . . . 61.1 mtt-85 -102.02 -16.48 16.45 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.373 0.606 . . . . 10.0 109.952 179.439 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 20' ' ' GLU . . . . . . . . . . . . . 29.5 tt0 -93.01 -23.15 18.77 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.673 -0.694 . . . . 10.0 110.392 -179.826 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 21' ' ' CYS . . . . . . . . . . . . . 74.1 m -97.94 144.37 27.56 Favored 'General case' 0 CA--C 1.51 -0.56 0 CA-C-O 121.442 0.639 . . . . 0.0 111.058 -179.445 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 22' ' ' THR . . . . . . . . . . . . . 2.0 m -72.52 147.93 45.51 Favored 'General case' 0 C--O 1.238 0.482 0 CA-C-N 115.991 -0.549 . . . . 10.0 110.289 178.016 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 23' ' ' LEU . . . . . 0.419 HD13 ' HB3' ' B' ' 40' ' ' ARG . 46.0 tp -58.06 -38.05 75.59 Favored 'General case' 0 C--N 1.333 -0.145 0 O-C-N 123.136 0.273 . . . . 10.0 111.223 179.809 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 24' ' ' GLU . . . . . . . . . . . . . 40.5 tt0 -58.2 -48.99 78.62 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.831 0.348 . . . . 10.0 110.967 -179.876 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 25' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -64.99 -36.83 85.66 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.112 -0.495 . . . . 10.0 110.865 179.763 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 26' ' ' LEU . . . . . . . . . . . . . 20.8 mt -62.07 -41.48 98.2 Favored 'General case' 0 N--CA 1.463 0.219 0 CA-C-N 115.88 -0.6 . . . . 10.0 110.216 179.366 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 27' ' ' GLU . . . . . . . . . . . . . 25.7 tt0 -65.1 -48.06 75.0 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.087 -0.506 . . . . 10.0 110.571 179.348 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 28' ' ' GLU . . . . . . . . . . . . . 7.5 tt0 -57.29 -46.28 83.3 Favored 'General case' 0 C--O 1.234 0.267 0 CA-C-N 116.138 -0.483 . . . . 10.0 111.354 -179.128 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 29' ' ' MET . . . . . 0.416 ' SD ' HD23 ' B' ' 5' ' ' LEU . 19.2 ptp -75.83 -25.15 56.01 Favored 'General case' 0 C--N 1.326 -0.427 0 C-N-CA 120.743 -0.383 . . . . 10.0 111.667 -179.54 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 30' ' ' LEU . . . . . . . . . . . . . 26.3 tp -64.53 -44.92 89.34 Favored 'General case' 0 CA--C 1.52 -0.182 0 N-CA-C 109.541 -0.54 . . . . 10.0 109.541 179.088 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 31' ' ' GLU . . . . . . . . . . . . . 68.8 mt-10 -64.03 -31.38 72.55 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.773 -0.648 . . . . 10.0 109.911 179.233 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 32' ' ' LYS . . . . . 0.473 ' O ' HG23 ' C' ' 36' ' ' VAL . 86.3 mttt -70.96 -36.4 72.55 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.877 -0.601 . . . . 10.0 110.533 179.358 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 33' ' ' LEU . . . . . 0.443 ' O ' HG23 ' C' ' 37' ' ' VAL . 53.7 tp -73.41 -37.68 65.83 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 109.835 -0.431 . . . . 10.0 109.835 178.776 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 34' ' ' GLU . . . . . . . . . . . . . 15.5 tp10 -53.4 -49.48 67.18 Favored 'General case' 0 C--O 1.234 0.259 0 CA-C-N 115.47 -0.786 . . . . 10.0 111.02 179.791 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 35' ' ' VAL . . . . . 0.477 ' O ' ' HG3' ' C' ' 39' ' ' GLU . 16.1 m -68.11 -34.36 66.2 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 C-N-CA 120.886 -0.325 . . . . 10.0 111.379 -179.429 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 36' ' ' VAL . . . . . 0.473 HG23 ' O ' ' C' ' 32' ' ' LYS . 65.7 t -62.62 -46.55 96.12 Favored 'Isoleucine or valine' 0 C--O 1.233 0.187 0 N-CA-C 109.586 -0.524 . . . . 10.0 109.586 179.139 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 37' ' ' VAL . . . . . 0.443 HG23 ' O ' ' C' ' 33' ' ' LEU . 43.4 t -64.69 -39.54 85.98 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.267 0 N-CA-C 109.365 -0.606 . . . . 10.0 109.365 178.738 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 38' ' ' ASN . . . . . . . . . . . . . 1.1 t30 -59.52 -45.82 90.64 Favored 'General case' 0 C--O 1.234 0.237 0 CA-C-N 115.926 -0.579 . . . . 10.0 110.352 179.317 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 39' ' ' GLU . . . . . 0.477 ' HG3' ' O ' ' C' ' 35' ' ' VAL . 31.0 mt-10 -57.93 -42.16 84.24 Favored 'General case' 0 C--N 1.333 -0.136 0 CA-C-O 121.393 0.616 . . . . 10.0 109.417 178.98 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 40' ' ' ARG . . . . . . . . . . . . . 7.1 mmm180 -65.73 -38.81 90.16 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.038 -0.983 . . . . 10.0 110.337 179.229 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 41' ' ' ARG . . . . . 0.496 ' HD3' ' OE1' ' B' ' 27' ' ' GLU . 8.2 mmm180 -61.2 -42.94 99.48 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.811 -0.631 . . . . 10.0 109.618 178.631 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 42' ' ' GLU . . . . . . . . . . . . . 18.8 mt-10 -62.29 -43.94 97.66 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.428 -0.805 . . . . 10.0 111.159 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 43' ' ' GLU . . . . . . . . . . . . . 60.5 mt-10 -60.42 -52.29 65.87 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.241 -0.436 . . . . 10.0 111.244 -179.698 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 44' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -68.57 -14.65 63.15 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.295 -0.411 . . . . 10.0 111.122 -179.935 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 45' ' ' SER . . . . . . . . . . . . . 4.0 t -95.05 -11.68 27.94 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.889 0.376 . . . . 10.0 110.469 179.179 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 46' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.341 0 CA-C-N 116.098 -0.501 . . . . 10.0 110.833 -179.781 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.699 ' N ' ' HH ' ' A' ' 11' ' ' TYR . 4.5 mp . . . . . 0 N--CA 1.479 0.98 0 N-CA-C 109.956 -0.387 . . . . 10.0 109.956 . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -85.07 159.2 20.24 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 120.874 0.369 . . . . 10.0 111.199 -179.339 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 66.8 tttt -59.84 -33.9 72.39 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.734 -0.666 . . . . 10.0 110.783 179.597 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -59.71 -41.46 90.87 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.402 -0.817 . . . . 10.0 111.506 179.872 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -60.98 -50.33 73.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.973 -0.558 . . . . 10.0 110.879 -179.858 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.699 ' HH ' ' N ' ' A' ' 6' ' ' LEU . 18.2 m-85 -64.54 -37.75 88.62 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.889 -0.596 . . . . 10.0 110.44 -179.8 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 38.9 tp -61.04 -40.96 95.61 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.896 -0.593 . . . . 10.0 110.694 -179.802 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 18.5 mmt -70.12 -36.94 75.17 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.981 0.419 . . . . 10.0 110.297 179.594 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.59 -34.58 78.56 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.995 -0.548 . . . . 10.0 110.521 179.65 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 52.7 mt -91.13 -11.62 37.98 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.383 -0.371 . . . . 10.0 111.606 -179.677 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -68.84 -21.64 64.27 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.068 0.461 . . . . 10.0 110.889 -179.934 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.444 HH11 ' HD3' ' A' ' 17' ' ' ARG . 18.5 mtm180 -89.34 -0.76 57.72 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.106 -0.497 . . . . 10.0 110.93 -179.75 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 26.7 m -97.34 131.17 44.27 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 120.797 0.332 . . . . 10.0 110.35 -179.78 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' GLN . . . . . 0.418 ' C ' ' H ' ' A' ' 21' ' ' ILE . 7.2 mm-40 -129.02 -175.93 3.71 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.013 -0.54 . . . . 10.0 110.642 -179.81 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 20' ' ' THR . . . . . 0.404 ' O ' ' HB ' ' A' ' 21' ' ' ILE . 7.6 m 73.98 -18.06 0.42 Allowed 'General case' 0 CA--C 1.534 0.357 0 O-C-N 123.685 0.616 . . . . 10.0 111.521 179.257 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.418 ' H ' ' C ' ' A' ' 19' ' ' GLN . 75.7 mt 73.48 -44.57 0.14 Allowed 'Isoleucine or valine' 0 N--CA 1.469 0.506 0 C-N-CA 123.345 0.658 . . . . 10.0 111.463 179.674 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -55.18 -40.62 70.91 Favored 'General case' 0 N--CA 1.466 0.361 0 C-N-CA 122.884 0.474 . . . . 10.0 110.866 179.797 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 2.1 m -72.78 -33.66 66.44 Favored 'General case' 0 CA--C 1.533 0.304 0 CA-C-N 115.83 -0.623 . . . . 10.0 110.907 179.358 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.426 ' O ' HG12 ' A' ' 28' ' ' ILE . 16.6 tp -68.79 -40.06 79.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.963 -0.562 . . . . 10.0 110.004 179.598 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 3.8 tp10 -63.87 -22.83 67.1 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.492 -0.776 . . . . 10.0 110.955 179.761 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 73.7 mtt85 -92.12 -40.67 10.91 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.501 -0.318 . . . . 10.0 111.799 -179.503 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 6.5 p -64.19 -34.17 67.2 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.32 0 CA-C-N 116.555 -0.293 . . . . 10.0 111.675 -179.256 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.426 HG12 ' O ' ' A' ' 24' ' ' LEU . 23.3 pt -77.0 -27.86 16.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 C-N-CA 121.086 -0.246 . . . . 10.0 111.111 179.846 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 53.1 tp10 -73.42 -44.55 58.07 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.052 0.453 . . . . 10.0 110.037 179.67 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 23.2 mtpp -67.84 -41.98 82.12 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.841 -0.618 . . . . 10.0 110.583 179.696 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 59.6 t30 -68.73 -23.16 64.31 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.901 -0.591 . . . . 10.0 111.234 -179.485 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 28.0 ttmt -59.53 -33.14 71.02 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.385 -0.37 . . . . 10.0 111.234 -179.562 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 12.7 m-85 -94.77 5.21 52.53 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.603 0.24 . . . . 10.0 111.318 -179.217 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 30.0 mt-10 -111.22 -21.14 12.05 Favored 'General case' 0 C--N 1.324 -0.521 0 C-N-CA 121.008 -0.277 . . . . 10.0 111.451 -179.241 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 84.1 mt -77.33 169.59 18.04 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.936 0.398 . . . . 10.0 111.315 -179.41 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' SER . . . . . 0.515 ' O ' ' HB2' ' A' ' 37' ' ' ASP . 1.4 m -84.3 -9.66 58.29 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.156 -0.475 . . . . 10.0 110.748 -179.105 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 37' ' ' ASP . . . . . 0.515 ' HB2' ' O ' ' A' ' 36' ' ' SER . 97.0 m-20 79.67 -22.88 0.26 Allowed 'General case' 0 C--O 1.252 1.187 0 C-N-CA 123.981 0.913 . . . . 0.0 110.983 177.552 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 1.1 p-10 -80.69 -27.79 36.93 Favored 'General case' 0 C--N 1.33 -0.248 0 O-C-N 120.775 -1.203 . . . . 10.0 110.588 179.436 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -102.59 3.74 37.64 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 121.293 0.568 . . . . 10.0 110.082 179.635 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 25.0 tp -66.6 -20.26 65.96 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.292 -0.867 . . . . 10.0 110.338 179.49 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -59.97 -42.81 94.95 Favored 'General case' 0 CA--C 1.53 0.176 0 CA-C-N 115.804 -0.635 . . . . 10.0 111.614 -179.858 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.413 HG23 ' HE2' ' A' ' 11' ' ' TYR . 4.7 m -82.17 -21.29 9.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 C-N-CA 120.927 -0.309 . . . . 10.0 110.83 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 75.5 t80 -67.95 -41.2 82.86 Favored 'General case' 0 C--N 1.33 -0.271 0 N-CA-C 109.478 -0.564 . . . . 10.0 109.478 179.119 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 2.9 m-85 -64.9 -34.19 77.81 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.846 -0.615 . . . . 10.0 110.08 178.806 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 1.6 t -64.88 -28.63 69.67 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.864 -0.607 . . . . 10.0 110.114 179.119 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -82.22 -43.98 16.94 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.89 -0.595 . . . . 10.0 109.982 178.967 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -60.06 -50.56 73.23 Favored 'General case' 0 C--N 1.333 -0.116 0 CA-C-N 115.848 -0.614 . . . . 10.0 110.945 179.901 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' ASP . . . . . 0.43 ' OD2' ' HA ' ' B' ' 10' ' ' ASN . 65.3 m-20 -57.84 -51.68 68.61 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.634 -0.712 . . . . 10.0 110.361 179.632 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 49' ' ' HIS . . . . . 0.446 ' CE1' HG12 ' A' ' 63' ' ' ILE . 4.6 t60 -58.46 -43.08 88.71 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.316 -0.856 . . . . 10.0 111.667 -179.123 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 30.3 tpt180 -66.58 -41.32 88.73 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.599 -0.273 . . . . 10.0 110.957 -179.614 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 31.5 tp -66.26 -38.3 87.49 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.846 0.355 . . . . 10.0 110.842 -179.797 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -58.59 -54.16 50.21 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.06 -0.518 . . . . 10.0 111.662 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -71.01 -30.79 67.12 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.262 -0.426 . . . . 10.0 111.466 -179.068 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 7.8 tp -66.65 -38.56 87.14 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.658 0.266 . . . . 10.0 111.143 -179.647 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 16.3 m -68.52 -33.57 74.35 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 116.407 -0.361 . . . . 10.0 110.344 179.834 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 1.5 tmm? -86.42 -9.39 56.38 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.384 -0.371 . . . . 10.0 110.968 179.863 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 38.2 t30 62.81 33.51 15.21 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.607 -0.724 . . . . 10.0 111.296 179.788 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 7.9 tptp -151.57 126.36 9.64 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.564 -0.289 . . . . 10.0 110.27 -179.913 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 8.7 mp -70.22 121.77 18.21 Favored 'General case' 0 C--O 1.236 0.377 0 CA-C-O 120.823 0.344 . . . . 10.0 111.007 -179.448 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 29.0 m-85 -126.62 121.26 31.67 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.908 -0.587 . . . . 10.0 111.24 -179.315 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 15.2 m-20 -65.68 -39.19 91.03 Favored 'General case' 0 C--N 1.33 -0.244 0 N-CA-C 108.931 -0.766 . . . . 10.0 108.931 178.552 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 23.8 mttt -112.32 138.35 49.17 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 108.174 -1.047 . . . . 10.0 108.174 178.161 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.446 HG12 ' CE1' ' A' ' 49' ' ' HIS . 50.0 mm -102.66 121.43 49.64 Favored Pre-proline 0 C--N 1.319 -0.728 0 C-N-CA 120.88 -0.328 . . . . 10.0 111.556 -178.851 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 64' ' ' PRO . . . . . 0.441 ' HD3' ' HA ' ' A' ' 63' ' ' ILE . 4.7 Cg_exo -75.73 119.29 5.38 Favored 'Trans proline' 0 N--CA 1.455 -0.748 0 C-N-CA 122.126 1.884 . . . . 10.0 109.683 177.089 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -42.15 -37.4 1.43 Allowed 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 113.286 0.847 . . . . 10.0 113.286 -178.867 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 88.6 p -58.73 -29.3 66.6 Favored 'General case' 0 C--O 1.255 1.371 0 O-C-N 121.466 -0.771 . . . . 0.0 110.968 -177.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.407 HG12 ' O ' ' A' ' 64' ' ' PRO . 1.8 p -74.67 -22.09 17.33 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.817 0 CA-C-N 119.124 0.874 . . . . 10.0 112.247 -176.703 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 68' ' ' TRP . . . . . 0.863 ' HB2' HG11 ' C' ' 35' ' ' VAL . 39.3 m95 -64.91 -16.56 63.42 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 112.293 0.479 . . . . 10.0 112.293 -178.471 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 4.3 tppp? -73.14 -10.19 59.52 Favored 'General case' 0 CA--C 1.535 0.375 0 CA-C-O 121.323 0.582 . . . . 10.0 110.397 179.808 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 72.7 m-85 -107.46 2.2 24.06 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.142 -0.481 . . . . 10.0 111.343 -179.496 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 2.9 mp -120.52 127.76 75.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 120.871 0.367 . . . . 10.0 111.637 -179.206 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 72' ' ' ARG . . . . . 0.519 ' HA ' ' NH2' ' B' ' 15' ' ' ARG . 15.0 mmt85 . . . . . 0 C--O 1.244 0.797 0 CA-C-O 118.23 -0.89 . . . . 10.0 110.288 179.475 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.259 0 CA-C-O 121.004 0.431 . . . . 10.0 110.336 . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . -74.69 -45.97 40.86 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.067 -0.515 . . . . 10.0 110.76 179.912 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 10.8 mp -65.64 -19.61 65.98 Favored 'General case' 0 N--CA 1.464 0.273 0 CA-C-O 121.147 0.499 . . . . 10.0 111.074 -179.528 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 21.4 tttm -64.38 -40.89 96.72 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.609 -0.723 . . . . 10.0 111.334 -179.892 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 7' ' ' ILE . . . . . 0.49 HG13 ' H ' ' B' ' 7' ' ' ILE . 1.1 pp -101.91 -10.68 9.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-O 120.762 0.315 . . . . 10.0 111.828 -179.221 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -85.19 -10.14 56.99 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 116.464 -0.334 . . . . 10.0 111.702 -179.037 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 9' ' ' ASN . . . . . . . . . . . . . 38.1 t30 -99.86 26.33 6.42 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.122 0.487 . . . . 10.0 111.296 -179.097 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 10' ' ' ASN . . . . . 0.492 ' OD1' ' HB2' ' B' ' 12' ' ' ARG . 5.0 t-20 -140.14 126.09 19.6 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.228 -0.442 . . . . 10.0 110.515 179.693 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 11' ' ' ILE . . . . . 0.434 HD12 ' NH2' ' B' ' 15' ' ' ARG . 11.2 pt -63.82 -26.33 40.36 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.184 0 CA-C-N 116.226 -0.443 . . . . 10.0 112.062 -179.506 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 12' ' ' ARG . . . . . 0.492 ' HB2' ' OD1' ' B' ' 10' ' ' ASN . 22.6 mmt85 -66.55 -53.59 33.1 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.501 -0.318 . . . . 10.0 111.092 -179.259 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 13' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -71.34 -38.95 71.62 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.39 -0.368 . . . . 10.0 111.753 -179.838 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 15.9 tp -60.5 -42.35 96.2 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.219 -0.446 . . . . 10.0 111.594 -179.4 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 15' ' ' ARG . . . . . 0.531 ' HD3' ' OE1' ' C' ' 39' ' ' GLU . 14.1 mtm180 -72.56 -12.11 60.93 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 111.663 0.245 . . . . 10.0 111.663 -179.213 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 16' ' ' ALA . . . . . . . . . . . . . . . -95.65 -42.55 8.34 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.211 0.529 . . . . 10.0 110.777 179.543 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 17' ' ' GLN . . . . . 0.439 ' O ' ' HG2' ' B' ' 20' ' ' GLU . 9.6 tp60 -71.96 -30.39 65.24 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.724 -0.671 . . . . 10.0 111.283 -179.54 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -76.47 0.04 21.23 Favored 'General case' 0 C--N 1.33 -0.255 0 N-CA-C 112.23 0.456 . . . . 10.0 112.23 -179.295 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 13.4 mmm180 -76.43 -15.64 59.88 Favored 'General case' 0 C--N 1.331 -0.225 0 C-N-CA 121.074 -0.25 . . . . 10.0 111.267 -179.602 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 20' ' ' GLU . . . . . 0.439 ' HG2' ' O ' ' B' ' 17' ' ' GLN . 12.9 pt-20 -90.18 7.38 38.32 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.907 0.384 . . . . 10.0 110.841 179.796 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 21' ' ' CYS . . . . . 1.397 ' SG ' ' HB ' ' B' ' 25' ' ' THR . 53.8 t -122.73 138.72 54.53 Favored 'General case' 0 CA--C 1.511 -0.548 0 CA-C-N 116.54 -0.3 . . . . 0.0 110.994 178.814 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -74.72 166.32 23.77 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 116.243 -0.435 . . . . 10.0 110.069 178.586 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 55.8 tp -55.95 -40.34 73.05 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.497 0.189 . . . . 10.0 110.823 179.76 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 24' ' ' GLU . . . . . 0.466 ' O ' ' HB2' ' B' ' 28' ' ' GLU . 0.7 OUTLIER -57.68 -51.61 68.84 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.169 -0.469 . . . . 10.0 111.268 179.681 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 25' ' ' THR . . . . . 1.397 ' HB ' ' SG ' ' B' ' 21' ' ' CYS . 0.1 OUTLIER -63.12 -36.0 82.15 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.98 -0.555 . . . . 10.0 111.327 -179.365 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 26' ' ' LEU . . . . . 0.449 ' O ' ' HG3' ' B' ' 29' ' ' MET . 70.0 mt -70.28 -44.17 68.94 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.557 -0.292 . . . . 10.0 111.019 -179.834 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 27' ' ' GLU . . . . . 0.585 ' OE2' ' HD3' ' C' ' 41' ' ' ARG . 96.9 mt-10 -66.9 -36.28 81.92 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.216 0.532 . . . . 10.0 109.8 179.01 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 28' ' ' GLU . . . . . 0.466 ' HB2' ' O ' ' B' ' 24' ' ' GLU . 1.2 tm-20 -61.62 -46.18 90.91 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 114.998 -1.001 . . . . 10.0 111.094 -179.876 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 29' ' ' MET . . . . . 0.449 ' HG3' ' O ' ' B' ' 26' ' ' LEU . 4.8 ppp? -77.04 -23.8 52.05 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.463 -0.335 . . . . 10.0 111.875 -179.251 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 63.2 tp -61.43 -51.62 67.98 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 120.75 0.309 . . . . 10.0 111.143 -179.741 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 15.2 mt-10 -63.71 -27.24 69.07 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.261 -0.427 . . . . 10.0 110.832 -179.873 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 32' ' ' LYS . . . . . 0.419 ' O ' HG23 ' B' ' 36' ' ' VAL . 45.6 mttm -64.56 -46.38 83.06 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.267 -0.424 . . . . 10.0 110.304 179.299 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 32.2 tp -75.37 -32.77 60.93 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.8 0.333 . . . . 10.0 110.492 -179.862 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -57.3 -47.56 81.18 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.978 -0.555 . . . . 10.0 110.786 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 35' ' ' VAL . . . . . . . . . . . . . 34.0 m -66.65 -33.63 64.72 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.166 0 C-N-CA 120.929 -0.309 . . . . 10.0 110.938 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 36' ' ' VAL . . . . . 0.419 HG23 ' O ' ' B' ' 32' ' ' LYS . 74.9 t -64.35 -53.02 48.16 Favored 'Isoleucine or valine' 0 C--O 1.232 0.16 0 CA-C-O 120.746 0.308 . . . . 10.0 110.203 179.183 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 48.1 t -62.83 -36.2 74.45 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-N 116.212 -0.449 . . . . 10.0 109.903 179.37 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 23.2 t30 -59.81 -51.56 69.22 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.903 -0.59 . . . . 10.0 110.078 178.691 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 92.3 mt-10 -60.07 -47.52 85.55 Favored 'General case' 0 CA--C 1.517 -0.291 0 CA-C-N 115.826 -0.625 . . . . 10.0 110.556 179.586 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 28.3 mmm-85 -58.62 -40.71 84.08 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.065 -0.516 . . . . 10.0 110.023 179.173 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 41' ' ' ARG . . . . . 0.407 ' HG2' HD21 ' C' ' 23' ' ' LEU . 74.1 mtt180 -58.91 -52.78 64.26 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.803 -0.635 . . . . 10.0 109.945 178.906 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 1.5 tp10 -58.17 -47.46 83.31 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.941 -0.572 . . . . 10.0 111.199 -179.662 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 61.2 mt-10 -59.6 -45.77 90.93 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.162 -0.472 . . . . 10.0 111.362 -179.363 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 47.5 mt-10 -81.71 6.72 14.44 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.927 0.394 . . . . 10.0 111.775 -179.331 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 45' ' ' SER . . . . . . . . . . . . . 71.1 m -115.16 -29.54 6.59 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.942 0.401 . . . . 10.0 109.963 178.163 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 115.887 -0.597 . . . . 10.0 110.604 179.205 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' C' C ' 3' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.176 0 CA-C-O 120.932 0.396 . . . . 10.0 110.647 . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 4' ' ' ALA . . . . . . . . . . . . . . . -63.06 -39.77 95.7 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.188 0.518 . . . . 10.0 110.669 -179.804 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 5' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -79.12 -3.67 46.62 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.854 -0.612 . . . . 10.0 110.725 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 6' ' ' LYS . . . . . . . . . . . . . 23.3 tptm -85.68 -53.86 4.89 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.236 -0.438 . . . . 10.0 110.179 179.837 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 7' ' ' ILE . . . . . . . . . . . . . 9.7 pt -68.49 -24.76 29.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-N 115.942 -0.572 . . . . 10.0 111.743 -179.703 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 8' ' ' LEU . . . . . . . . . . . . . 3.9 mp -73.96 -10.8 60.01 Favored 'General case' 0 CA--C 1.532 0.254 0 CA-C-O 120.83 0.347 . . . . 10.0 111.478 179.893 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 9' ' ' ASN . . . . . . . . . . . . . 7.0 t-20 -89.43 2.93 53.81 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.22 0.534 . . . . 10.0 109.712 179.26 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 10' ' ' ASN . . . . . 0.524 ' HB3' ' OG1' ' C' ' 13' ' ' THR . 58.2 t-20 -118.33 119.67 35.33 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.938 -0.574 . . . . 10.0 110.051 179.69 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 11' ' ' ILE . . . . . . . . . . . . . 10.0 tp -64.4 -28.34 44.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 115.904 -0.589 . . . . 10.0 111.927 -179.079 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 12' ' ' ARG . . . . . . . . . . . . . 40.3 mmt180 -65.77 -51.04 62.38 Favored 'General case' 0 C--O 1.234 0.25 0 CA-C-O 120.748 0.309 . . . . 10.0 110.797 -179.424 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 13' ' ' THR . . . . . 0.524 ' OG1' ' HB3' ' C' ' 10' ' ' ASN . 0.3 OUTLIER -71.77 -35.93 70.2 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.016 -0.538 . . . . 10.0 110.713 179.887 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' C' C ' 14' ' ' LEU . . . . . . . . . . . . . 15.7 tp -59.66 -44.82 93.41 Favored 'General case' 0 N--CA 1.456 -0.167 0 CA-C-N 115.838 -0.619 . . . . 10.0 110.638 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 15' ' ' ARG . . . . . . . . . . . . . 15.1 mtt85 -66.43 -27.97 68.24 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.5 -0.318 . . . . 10.0 111.149 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 16' ' ' ALA . . . . . . . . . . . . . . . -79.15 -48.46 14.24 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.339 -0.391 . . . . 10.0 111.369 -179.563 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 17' ' ' GLN . . . . . . . . . . . . . 50.4 tt0 -66.89 -36.82 83.16 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.26 -0.427 . . . . 10.0 111.394 -179.387 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 18' ' ' ALA . . . . . . . . . . . . . . . -67.72 -20.93 65.32 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.857 0.36 . . . . 10.0 111.527 -179.834 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 19' ' ' ARG . . . . . . . . . . . . . 53.0 mtt180 -80.74 -1.69 43.82 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.842 0.354 . . . . 10.0 111.237 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 20' ' ' GLU . . . . . . . . . . . . . 24.9 mt-10 -96.14 18.14 14.21 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.102 0.477 . . . . 10.0 110.687 179.9 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 21' ' ' CYS . . . . . 0.454 ' SG ' HD21 ' C' ' 26' ' ' LEU . 29.5 p -153.57 162.64 41.07 Favored 'General case' 0 C--N 1.318 -0.777 0 C-N-CA 123.533 0.733 . . . . 0.0 110.939 178.868 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 22' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -79.89 166.71 21.39 Favored 'General case' 0 C--N 1.318 -0.778 0 O-C-N 123.832 0.707 . . . . 10.0 111.083 179.254 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 23' ' ' LEU . . . . . 0.407 HD21 ' HG2' ' B' ' 41' ' ' ARG . 46.1 tp -60.47 -37.22 80.32 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.053 -0.521 . . . . 10.0 110.405 -179.833 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 24' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -52.59 -50.6 62.69 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.159 -0.928 . . . . 10.0 112.007 -179.881 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 25' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -67.78 -37.45 82.08 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.865 0.364 . . . . 10.0 111.371 -179.282 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 26' ' ' LEU . . . . . 0.454 HD21 ' SG ' ' C' ' 21' ' ' CYS . 46.1 mt -69.1 -29.42 67.5 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.086 0.469 . . . . 10.0 110.781 -179.847 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 27' ' ' GLU . . . . . . . . . . . . . 5.7 tt0 -68.24 -55.75 11.13 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.638 -0.71 . . . . 10.0 111.648 -179.336 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 28' ' ' GLU . . . . . . . . . . . . . 5.4 tt0 -65.79 -16.92 64.24 Favored 'General case' 0 N--CA 1.464 0.241 0 CA-C-O 120.723 0.297 . . . . 10.0 111.42 -178.814 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 29' ' ' MET . . . . . . . . . . . . . 3.4 ptp -87.69 -24.58 23.83 Favored 'General case' 0 C--N 1.326 -0.436 0 C-N-CA 120.315 -0.554 . . . . 10.0 109.993 178.819 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 30' ' ' LEU . . . . . . . . . . . . . 15.0 tp -75.86 -47.28 26.17 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.315 -0.402 . . . . 10.0 110.354 179.733 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 31' ' ' GLU . . . . . . . . . . . . . 7.7 pt-20 -57.9 -37.43 74.01 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.961 -0.563 . . . . 10.0 110.891 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 32' ' ' LYS . . . . . 0.552 ' O ' HG23 ' C' ' 36' ' ' VAL . 86.0 mttt -74.73 -28.06 60.63 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.281 -0.418 . . . . 10.0 111.183 179.893 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 33' ' ' LEU . . . . . . . . . . . . . 32.2 tp -77.85 -47.57 18.49 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 111.752 0.279 . . . . 10.0 111.752 -179.163 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 34' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -60.35 -35.13 74.95 Favored 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 112.158 0.429 . . . . 10.0 112.158 -178.421 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 35' ' ' VAL . . . . . 0.863 HG11 ' HB2' ' A' ' 68' ' ' TRP . 33.8 m -72.77 -33.51 44.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 C-N-CA 120.946 -0.301 . . . . 10.0 111.512 -179.852 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 36' ' ' VAL . . . . . 0.552 HG23 ' O ' ' C' ' 32' ' ' LYS . 59.7 t -63.12 -40.64 89.79 Favored 'Isoleucine or valine' 0 C--O 1.233 0.2 0 N-CA-C 108.851 -0.796 . . . . 10.0 108.851 178.621 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 37' ' ' VAL . . . . . . . . . . . . . 44.9 t -67.93 -39.06 81.03 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 115.391 -0.822 . . . . 10.0 109.218 178.326 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 38' ' ' ASN . . . . . 0.602 ' O ' ' HB2' ' C' ' 41' ' ' ARG . 4.6 t-20 -63.57 -39.3 94.04 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.662 -0.699 . . . . 10.0 110.717 179.857 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 39' ' ' GLU . . . . . 0.531 ' OE1' ' HD3' ' B' ' 15' ' ' ARG . 37.8 mt-10 -66.66 -39.76 88.34 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.057 0.456 . . . . 10.0 110.058 179.159 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 40' ' ' ARG . . . . . . . . . . . . . 10.3 mmm180 -65.61 -25.63 67.47 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.998 -0.546 . . . . 10.0 109.567 178.615 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 41' ' ' ARG . . . . . 0.602 ' HB2' ' O ' ' C' ' 38' ' ' ASN . 5.2 mmm-85 -64.7 -60.55 2.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.191 -0.913 . . . . 10.0 110.58 179.7 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 42' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -59.49 -33.78 71.76 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.206 0.527 . . . . 10.0 110.312 179.76 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 43' ' ' GLU . . . . . . . . . . . . . 30.9 tt0 -62.0 -45.66 92.65 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.603 -0.726 . . . . 10.0 110.576 179.39 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 44' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -79.99 -20.42 45.52 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.128 -0.487 . . . . 10.0 111.117 -179.557 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 45' ' ' SER . . . . . . . . . . . . . 50.5 m -77.05 -25.54 52.6 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.454 -0.339 . . . . 10.0 111.203 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 46' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.426 0 CA-C-O 121.275 0.559 . . . . 10.0 110.556 179.955 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.525 ' HB2' ' CZ ' ' A' ' 11' ' ' TYR . 18.1 mt . . . . . 0 N--CA 1.479 0.997 0 CA-C-O 120.821 0.343 . . . . 10.0 110.315 . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -68.77 155.23 40.54 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.944 -0.571 . . . . 10.0 111.116 179.799 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 24.9 tttt -58.36 -40.17 81.54 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.099 -0.5 . . . . 10.0 110.94 -179.902 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' THR . . . . . 0.4 ' O ' ' HG2' ' A' ' 13' ' ' MET . 0.0 OUTLIER -69.44 -28.29 65.99 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.916 -0.584 . . . . 10.0 111.618 179.624 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -64.14 -50.44 68.22 Favored 'General case' 0 N--CA 1.464 0.246 0 CA-C-O 121.044 0.449 . . . . 10.0 110.857 -179.606 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.525 ' CZ ' ' HB2' ' A' ' 6' ' ' LEU . 46.6 m-85 -65.13 -35.72 81.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.801 -0.636 . . . . 10.0 109.862 179.642 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 60.9 tp -59.88 -42.72 94.4 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.798 -0.637 . . . . 10.0 110.752 179.471 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' MET . . . . . 0.4 ' HG2' ' O ' ' A' ' 9' ' ' THR . 84.2 mmm -67.57 -39.85 84.89 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.233 -0.439 . . . . 10.0 110.86 -179.889 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.33 -37.69 83.71 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.023 0.44 . . . . 10.0 110.52 179.591 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 97.8 mt -78.23 -15.72 58.52 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.306 -0.407 . . . . 10.0 111.257 -179.413 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.507 ' HA ' ' NE ' ' A' ' 50' ' ' ARG . 55.3 mtt180 -77.1 -6.94 54.74 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.143 0.497 . . . . 10.0 110.318 179.243 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.401 HH11 ' HD3' ' A' ' 17' ' ' ARG . 11.2 mmm-85 -84.41 -13.44 52.18 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.726 -0.67 . . . . 10.0 109.209 178.477 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 6.2 m -90.12 138.63 31.36 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.322 -0.854 . . . . 10.0 110.066 179.432 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 3.8 mm-40 -130.28 178.27 6.71 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.438 -0.347 . . . . 10.0 110.477 -179.435 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER 64.0 0.32 0.95 Allowed 'General case' 0 N--CA 1.47 0.54 0 N-CA-C 113.172 0.804 . . . . 10.0 113.172 178.671 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 68.3 mt 71.79 -43.54 0.13 Allowed 'Isoleucine or valine' 0 N--CA 1.471 0.588 0 C-N-CA 122.964 0.506 . . . . 10.0 111.414 -179.337 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 8.1 t70 -53.86 -47.86 70.59 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 111.858 0.318 . . . . 10.0 111.858 -179.821 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -59.45 -39.82 84.83 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.993 0.425 . . . . 10.0 110.347 179.562 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.529 ' O ' HG12 ' A' ' 28' ' ' ILE . 24.9 tp -66.65 -44.48 81.8 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.74 -0.664 . . . . 10.0 109.797 179.508 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 8.1 tp10 -56.79 -41.34 77.54 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.531 -0.758 . . . . 10.0 111.305 179.887 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 3.3 mtt180 -79.29 -38.11 36.17 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.946 -0.57 . . . . 10.0 112.257 -178.871 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.503 HG12 ' HA ' ' A' ' 24' ' ' LEU . 4.4 p -69.1 -34.91 66.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 N-CA-C 112.146 0.424 . . . . 10.0 112.146 -178.519 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.529 HG12 ' O ' ' A' ' 24' ' ' LEU . 45.8 pt -74.84 -25.81 19.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-O 121.052 0.453 . . . . 10.0 110.564 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 19.3 tp10 -79.17 -45.01 20.77 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.054 -0.521 . . . . 10.0 110.811 179.67 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 33.0 tttp -69.52 -44.46 70.95 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.301 -0.409 . . . . 10.0 111.547 -178.964 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' ASN . . . . . 0.409 ' O ' ' HG ' ' A' ' 35' ' ' LEU . 7.9 t30 -70.8 -12.25 61.44 Favored 'General case' 0 N--CA 1.464 0.241 0 CA-C-N 116.238 -0.437 . . . . 10.0 111.481 -178.737 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 38.6 ttmt -59.2 -46.05 89.47 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.196 -0.457 . . . . 10.0 111.725 -179.633 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -83.96 -8.18 59.23 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.272 -0.422 . . . . 10.0 111.299 -178.694 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 79.5 mt-10 -99.19 3.43 46.44 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 116.252 -0.431 . . . . 10.0 111.53 -179.151 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.409 ' HG ' ' O ' ' A' ' 31' ' ' ASN . 40.2 mt -92.3 171.2 9.22 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.012 -0.54 . . . . 10.0 110.312 178.933 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 36' ' ' SER . . . . . 0.412 ' O ' ' HB2' ' A' ' 37' ' ' ASP . 0.7 OUTLIER -93.21 1.2 57.18 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 116.334 -0.394 . . . . 10.0 110.39 -179.663 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 37' ' ' ASP . . . . . 0.412 ' HB2' ' O ' ' A' ' 36' ' ' SER . 97.2 m-20 73.9 -1.61 3.02 Favored 'General case' 0 C--O 1.252 1.213 0 C-N-CA 124.874 1.27 . . . . 0.0 111.049 179.11 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 27.3 t-20 -97.47 -39.9 8.94 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-O 121.458 0.647 . . . . 10.0 109.409 179.423 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -84.42 -5.66 59.3 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 114.873 -1.058 . . . . 10.0 109.941 179.598 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 48.8 tp -60.43 -28.87 68.61 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.616 -0.72 . . . . 10.0 110.577 179.619 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -62.1 -55.08 32.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.86 -0.609 . . . . 10.0 111.042 -179.864 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 11.8 m -73.96 -23.4 18.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.392 -0.367 . . . . 10.0 111.293 -179.598 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 52.3 t80 -64.99 -40.35 94.83 Favored 'General case' 0 C--O 1.235 0.316 0 CA-C-N 116.392 -0.367 . . . . 10.0 110.065 179.504 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 3.0 m-85 -61.81 -47.24 85.97 Favored 'General case' 0 CA--C 1.52 -0.211 0 CA-C-N 116.003 -0.544 . . . . 10.0 110.259 179.299 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 23.0 m -60.14 -38.05 81.92 Favored 'General case' 0 C--O 1.237 0.43 0 CA-C-N 115.816 -0.629 . . . . 10.0 111.634 179.867 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -67.49 -43.05 81.86 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.033 -0.531 . . . . 10.0 110.42 179.865 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -66.13 -44.85 83.04 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.928 -0.578 . . . . 10.0 110.377 179.337 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 48.7 m-20 -58.65 -42.69 88.96 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.683 -0.689 . . . . 10.0 110.155 179.287 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 5.1 t60 -63.35 -47.61 81.44 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.79 -0.641 . . . . 10.0 110.342 179.72 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' ARG . . . . . 0.507 ' NE ' ' HA ' ' A' ' 16' ' ' ARG . 30.5 tpt180 -62.85 -38.2 89.85 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.615 -0.72 . . . . 10.0 111.082 -179.458 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 32.3 tp -69.78 -42.28 74.0 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.519 -0.31 . . . . 10.0 110.782 -179.813 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.493 ' HA ' HD11 ' A' ' 71' ' ' ILE . . . -59.83 -49.4 77.84 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 112.101 0.408 . . . . 10.0 112.101 -179.724 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 16.5 pt-20 -67.0 -33.38 75.44 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.71 0.29 . . . . 10.0 111.266 -179.376 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.419 HD12 ' HA ' ' A' ' 54' ' ' LEU . 8.1 tp -72.97 -35.62 66.96 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.964 0.411 . . . . 10.0 111.02 -179.585 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 48.2 m -66.08 -31.73 72.78 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.311 -0.404 . . . . 10.0 111.315 -179.611 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 79.2 mmm -98.24 -3.71 36.85 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.725 -0.216 . . . . 10.0 111.169 179.66 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 63.5 t30 57.99 44.07 20.17 Favored 'General case' 0 N--CA 1.464 0.257 0 CA-C-O 121.608 0.718 . . . . 10.0 110.628 -179.834 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 15.6 tptp -158.82 116.85 2.89 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.808 -0.633 . . . . 10.0 110.289 -179.818 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 5.4 mp -71.37 125.36 26.79 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.978 0.418 . . . . 10.0 110.642 -179.76 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 27.6 m-85 -130.16 139.34 50.88 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.74 -0.664 . . . . 10.0 110.598 -179.699 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 64.4 m-20 -70.19 -33.76 72.11 Favored 'General case' 0 C--N 1.331 -0.239 0 N-CA-C 109.35 -0.611 . . . . 10.0 109.35 178.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -114.45 157.55 22.76 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 108.689 -0.856 . . . . 10.0 108.689 178.443 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 47.6 mm -117.54 125.28 28.22 Favored Pre-proline 0 C--N 1.32 -0.703 0 C-N-CA 120.596 -0.442 . . . . 10.0 111.398 -179.237 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 19.6 Cg_exo -65.51 131.34 27.63 Favored 'Trans proline' 0 C--N 1.347 0.494 0 C-N-CA 122.588 2.192 . . . . 10.0 111.689 178.555 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -55.89 -31.74 63.1 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 112.669 0.618 . . . . 10.0 112.669 -179.038 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 96.3 p -84.31 0.58 48.56 Favored 'General case' 0 C--O 1.257 1.489 0 O-C-N 121.737 -0.602 . . . . 0.0 111.008 -177.216 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -90.74 -18.56 7.47 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.011 0 CA-C-N 119.545 1.066 . . . . 10.0 111.143 -179.005 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 68' ' ' TRP . . . . . 0.636 ' HB2' HG11 ' C' ' 35' ' ' VAL . 86.3 m95 -65.42 -18.32 65.23 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.931 0.396 . . . . 10.0 111.576 -179.049 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 12.4 tptp -68.48 -22.1 64.57 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.348 -0.387 . . . . 10.0 110.743 179.7 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 91.2 m-85 -88.43 -5.26 58.37 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.346 -0.388 . . . . 10.0 110.727 179.836 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.493 HD11 ' HA ' ' A' ' 52' ' ' ALA . 1.6 mp -84.74 129.31 37.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-N 115.93 -0.577 . . . . 10.0 109.736 179.55 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 50.9 mtp180 . . . . . 0 C--O 1.248 1.019 0 CA-C-O 118.408 -0.806 . . . . 10.0 110.431 -179.597 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 CA--C 1.529 0.135 0 CA-C-O 120.794 0.33 . . . . 10.0 110.585 . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . -62.78 -41.13 99.1 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.124 -0.489 . . . . 10.0 110.939 179.777 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 10.4 mp -71.61 -14.3 62.02 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.983 -0.553 . . . . 10.0 110.938 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 36.3 ttmt -79.73 -39.73 30.45 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.274 -0.421 . . . . 10.0 110.497 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 7' ' ' ILE . . . . . . . . . . . . . 31.6 pt -86.62 -21.48 7.38 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.185 0 CA-C-N 116.161 -0.472 . . . . 10.0 111.038 -179.52 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 1.2 tp -82.15 -6.77 59.44 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.168 -0.469 . . . . 10.0 110.674 -179.851 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 9' ' ' ASN . . . . . . . . . . . . . 55.3 t30 -73.82 -33.47 64.17 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.895 -0.593 . . . . 10.0 111.343 -179.468 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 10' ' ' ASN . . . . . . . . . . . . . 14.3 t-20 -99.83 140.77 33.56 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.223 0.535 . . . . 10.0 111.452 -179.321 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 74.5 mt -68.41 -33.82 62.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 115.601 -0.727 . . . . 10.0 112.387 -178.609 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 12' ' ' ARG . . . . . . . . . . . . . 97.6 mtt180 -65.68 -37.84 87.61 Favored 'General case' 0 N--CA 1.465 0.325 0 N-CA-C 111.756 0.28 . . . . 10.0 111.756 -178.671 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 13' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -76.28 -35.09 59.07 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 120.977 0.418 . . . . 10.0 110.534 179.456 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 24.2 tp -69.65 -41.45 75.55 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.697 -0.683 . . . . 10.0 111.187 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 15' ' ' ARG . . . . . 0.408 HH11 ' HD2' ' B' ' 15' ' ' ARG . 30.1 mtt180 -53.41 -40.43 65.12 Favored 'General case' 0 N--CA 1.467 0.41 0 CA-C-N 116.311 -0.404 . . . . 10.0 111.753 -179.768 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 16' ' ' ALA . . . . . . . . . . . . . . . -62.54 -51.9 65.55 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 112.493 0.553 . . . . 10.0 112.493 -178.686 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 17' ' ' GLN . . . . . 0.612 ' O ' ' HG2' ' B' ' 20' ' ' GLU . 0.0 OUTLIER -71.58 -19.63 62.11 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 121.456 0.646 . . . . 10.0 111.22 -179.271 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -74.63 -10.08 59.19 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.316 -0.402 . . . . 10.0 111.327 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 15.5 mmm180 -83.92 -18.09 38.52 Favored 'General case' 0 C--N 1.328 -0.334 0 C-N-CA 121.231 -0.188 . . . . 10.0 111.188 -179.736 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 20' ' ' GLU . . . . . 0.612 ' HG2' ' O ' ' B' ' 17' ' ' GLN . 10.7 pt-20 -95.27 -14.2 24.2 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.176 0.512 . . . . 10.0 110.704 179.707 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 21' ' ' CYS . . . . . . . . . . . . . 76.8 m -95.15 132.48 40.04 Favored 'General case' 0 CA--C 1.511 -0.53 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.949 178.144 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -63.63 153.34 36.28 Favored 'General case' 0 C--N 1.314 -0.943 0 O-C-N 123.853 0.721 . . . . 10.0 110.934 179.477 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 47.0 tp -55.45 -41.97 73.61 Favored 'General case' 0 N--CA 1.461 0.121 0 N-CA-C 109.733 -0.469 . . . . 10.0 109.733 179.498 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -55.63 -50.03 71.27 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 115.53 -0.759 . . . . 10.0 110.542 178.609 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -62.86 -42.59 99.81 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.635 -0.711 . . . . 10.0 111.604 -179.633 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 69.1 mt -61.24 -44.27 97.53 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.314 -0.403 . . . . 10.0 111.111 -179.579 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 27' ' ' GLU . . . . . 0.426 ' OE2' ' HD3' ' C' ' 41' ' ' ARG . 51.1 mt-10 -69.6 -40.63 76.56 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.036 0.446 . . . . 10.0 109.938 179.189 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 28' ' ' GLU . . . . . 0.526 ' O ' ' HG3' ' B' ' 32' ' ' LYS . 0.6 OUTLIER -60.78 -44.87 96.23 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.732 -0.667 . . . . 10.0 111.227 -179.784 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 29' ' ' MET . . . . . . . . . . . . . 5.5 ppp? -75.8 -28.27 58.28 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.603 -0.271 . . . . 10.0 111.218 -179.34 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 35.6 tp -58.13 -47.39 83.45 Favored 'General case' 0 C--O 1.233 0.193 0 CA-C-O 120.946 0.403 . . . . 10.0 110.457 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 23.7 mt-10 -64.72 -34.91 79.43 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.753 -0.658 . . . . 10.0 110.808 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 32' ' ' LYS . . . . . 0.526 ' HG3' ' O ' ' B' ' 28' ' ' GLU . 43.1 mttm -64.74 -44.61 89.57 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.063 -0.517 . . . . 10.0 110.974 -179.615 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 52.4 tp -70.41 -37.06 74.39 Favored 'General case' 0 C--N 1.324 -0.502 0 C-N-CA 120.585 -0.446 . . . . 10.0 109.989 179.22 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 8.9 tt0 -60.94 -47.54 85.97 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.905 -0.589 . . . . 10.0 111.416 -179.649 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 35' ' ' VAL . . . . . . . . . . . . . 27.4 m -63.21 -32.16 55.35 Favored 'Isoleucine or valine' 0 C--O 1.233 0.199 0 C-N-CA 120.892 -0.323 . . . . 10.0 111.732 -179.253 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 36' ' ' VAL . . . . . 0.525 HG23 ' O ' ' B' ' 32' ' ' LYS . 59.4 t -69.66 -41.48 80.17 Favored 'Isoleucine or valine' 0 C--O 1.233 0.193 0 N-CA-C 109.213 -0.662 . . . . 10.0 109.213 178.599 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 69.9 t -65.82 -38.96 83.41 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.227 0 N-CA-C 108.742 -0.836 . . . . 10.0 108.742 178.145 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 22.0 t30 -62.15 -43.47 98.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.447 -0.797 . . . . 10.0 109.757 178.276 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 39' ' ' GLU . . . . . 0.602 ' O ' ' HG3' ' B' ' 43' ' ' GLU . 18.2 mt-10 -59.16 -51.05 71.67 Favored 'General case' 0 N--CA 1.453 -0.317 0 CA-C-N 115.605 -0.725 . . . . 10.0 109.625 178.364 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 13.5 mmm-85 -60.69 -38.73 85.95 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 115.863 -0.608 . . . . 10.0 110.899 179.326 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 41' ' ' ARG . . . . . . . . . . . . . 91.8 mtt180 -57.42 -47.04 82.8 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.22 -0.446 . . . . 10.0 110.076 179.048 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 5.6 tp10 -60.8 -45.41 94.52 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.882 -0.599 . . . . 10.0 110.954 -179.924 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 43' ' ' GLU . . . . . 0.602 ' HG3' ' O ' ' B' ' 39' ' ' GLU . 19.2 mt-10 -65.02 -36.01 83.0 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.411 -0.359 . . . . 10.0 110.664 -179.877 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -67.05 -38.79 86.47 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.13 -0.486 . . . . 10.0 111.076 -179.91 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 45' ' ' SER . . . . . . . . . . . . . 2.5 p -81.33 -24.38 37.17 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 111.712 0.264 . . . . 10.0 111.712 179.885 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.327 -0.376 0 CA-C-O 120.815 0.34 . . . . 10.0 111.353 -179.491 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' C' C ' 3' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 . . . . . 0 C--O 1.233 0.203 0 N-CA-C 112.112 0.412 . . . . 10.0 112.112 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' C' C ' 4' ' ' ALA . . . . . . . . . . . . . . . -57.53 -45.75 84.68 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.892 -0.595 . . . . 10.0 112.341 -178.932 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 5' ' ' LEU . . . . . 0.424 ' HA ' HD13 ' C' ' 8' ' ' LEU . 3.2 mm? -80.97 -15.56 55.88 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 112.233 0.457 . . . . 10.0 112.233 -178.568 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 6' ' ' LYS . . . . . . . . . . . . . 84.1 tttt -70.48 -34.58 72.54 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 111.898 0.333 . . . . 10.0 111.898 -178.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 7' ' ' ILE . . . . . . . . . . . . . 49.6 pt -73.31 -6.87 8.84 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 C-N-CA 121.043 -0.263 . . . . 10.0 111.447 -179.174 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 8' ' ' LEU . . . . . 0.424 HD13 ' HA ' ' C' ' 5' ' ' LEU . 2.6 mp -88.67 -7.26 56.64 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.881 0.372 . . . . 10.0 110.531 179.785 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 9' ' ' ASN . . . . . . . . . . . . . 23.4 t-20 -79.17 -30.44 43.49 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.103 -0.499 . . . . 10.0 110.062 179.702 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 10' ' ' ASN . . . . . 0.441 HD21 ' HB2' ' C' ' 12' ' ' ARG . 29.2 t30 -90.25 117.66 29.16 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.568 -0.742 . . . . 10.0 109.341 179.156 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 11' ' ' ILE . . . . . . . . . . . . . 8.4 tp -62.97 -25.6 38.93 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 116.291 -0.413 . . . . 10.0 111.651 -178.877 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 12' ' ' ARG . . . . . 0.441 ' HB2' HD21 ' C' ' 10' ' ' ASN . 33.9 mmt180 -65.53 -45.69 82.47 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.584 0.23 . . . . 10.0 110.746 -179.671 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 13' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -75.35 -38.25 60.2 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.843 0.354 . . . . 10.0 110.484 179.759 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 14' ' ' LEU . . . . . . . . . . . . . 34.1 tp -62.2 -47.69 83.32 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.823 -0.626 . . . . 10.0 110.735 179.863 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 15' ' ' ARG . . . . . . . . . . . . . 30.1 ttm105 -63.61 -30.22 71.36 Favored 'General case' 0 C--O 1.235 0.29 0 CA-C-N 116.139 -0.482 . . . . 10.0 111.026 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 16' ' ' ALA . . . . . . . . . . . . . . . -80.98 -40.68 23.99 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.349 -0.387 . . . . 10.0 111.043 -179.786 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 17' ' ' GLN . . . . . 0.434 ' O ' ' HB2' ' C' ' 20' ' ' GLU . 4.0 tp60 -67.24 -30.59 70.54 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.003 -0.544 . . . . 10.0 110.517 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 18' ' ' ALA . . . . . . . . . . . . . . . -66.85 -18.23 65.27 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.396 -0.365 . . . . 10.0 111.742 -179.776 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 19' ' ' ARG . . . . . . . . . . . . . 89.2 mtt-85 -78.6 -5.6 53.29 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 120.836 0.351 . . . . 10.0 110.797 -179.807 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 20' ' ' GLU . . . . . 0.434 ' HB2' ' O ' ' C' ' 17' ' ' GLN . 0.4 OUTLIER -76.5 -22.67 54.15 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.068 -0.514 . . . . 10.0 111.485 -179.622 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' C' C ' 21' ' ' CYS . . . . . . . . . . . . . 73.2 m -131.24 166.66 20.68 Favored 'General case' 0 CA--C 1.511 -0.554 0 CA-C-O 122.276 1.036 . . . . 0.0 111.006 -179.472 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 22' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -78.12 160.75 27.86 Favored 'General case' 0 C--O 1.239 0.533 0 CA-C-N 114.58 -1.191 . . . . 10.0 111.048 179.111 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 53.2 tp -56.32 -37.25 69.67 Favored 'General case' 0 C--O 1.225 -0.226 0 O-C-N 123.26 0.35 . . . . 10.0 111.471 -179.369 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 24' ' ' GLU . . . . . . . . . . . . . 7.3 tt0 -52.84 -51.73 59.83 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.978 0.418 . . . . 10.0 110.457 179.538 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 25' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -66.6 -41.38 88.54 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.862 -0.608 . . . . 10.0 111.201 179.409 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 26' ' ' LEU . . . . . . . . . . . . . 87.0 mt -61.58 -45.74 92.84 Favored 'General case' 0 N--CA 1.465 0.289 0 CA-C-O 120.949 0.404 . . . . 10.0 111.132 -179.665 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 27' ' ' GLU . . . . . 0.455 ' O ' ' HG3' ' C' ' 31' ' ' GLU . 21.3 tt0 -68.87 -41.31 78.58 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 116.377 -0.374 . . . . 10.0 110.369 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 28' ' ' GLU . . . . . 0.54 ' O ' ' HG2' ' C' ' 32' ' ' LYS . 33.3 tt0 -58.37 -47.18 84.65 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.061 -0.518 . . . . 10.0 110.891 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 29' ' ' MET . . . . . . . . . . . . . 21.9 ptp -70.91 -27.36 63.73 Favored 'General case' 0 C--N 1.332 -0.187 0 C-N-CA 120.993 -0.283 . . . . 10.0 110.963 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 30' ' ' LEU . . . . . . . . . . . . . 23.5 tp -66.0 -40.37 91.08 Favored 'General case' 0 C--N 1.332 -0.169 0 N-CA-C 109.696 -0.483 . . . . 10.0 109.696 179.015 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 31' ' ' GLU . . . . . 0.455 ' HG3' ' O ' ' C' ' 27' ' ' GLU . 46.4 mt-10 -63.45 -27.18 69.11 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.631 -0.713 . . . . 10.0 110.675 179.52 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 32' ' ' LYS . . . . . 0.54 ' HG2' ' O ' ' C' ' 28' ' ' GLU . 23.3 mmtp -77.16 -32.86 56.54 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.933 -0.576 . . . . 10.0 110.094 179.725 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 33' ' ' LEU . . . . . . . . . . . . . 18.4 tp -76.62 -43.88 36.51 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.865 -0.607 . . . . 10.0 112.176 -178.718 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 34' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -59.93 -40.56 89.34 Favored 'General case' 0 C--N 1.33 -0.271 0 N-CA-C 112.276 0.473 . . . . 10.0 112.276 -178.171 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 35' ' ' VAL . . . . . 0.636 HG11 ' HB2' ' A' ' 68' ' ' TRP . 19.2 m -70.14 -27.99 34.34 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.2 0 C-N-CA 120.639 -0.424 . . . . 10.0 111.063 -179.872 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 36' ' ' VAL . . . . . . . . . . . . . 19.5 t -67.62 -41.2 85.38 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 N-CA-C 109.187 -0.671 . . . . 10.0 109.187 178.662 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 37' ' ' VAL . . . . . . . . . . . . . 79.1 t -64.05 -35.59 74.11 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.36 0 CA-C-N 115.739 -0.664 . . . . 10.0 109.471 178.486 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 38' ' ' ASN . . . . . . . . . . . . . 1.6 t30 -59.66 -48.64 80.88 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 115.967 -0.561 . . . . 10.0 110.235 179.826 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 39' ' ' GLU . . . . . . . . . . . . . 17.0 mt-10 -58.89 -44.84 91.26 Favored 'General case' 0 C--O 1.233 0.218 0 CA-C-N 116.019 -0.537 . . . . 10.0 110.366 179.496 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 40' ' ' ARG . . . . . 0.456 ' HA ' HH11 ' C' ' 40' ' ' ARG . 7.5 mmm180 -60.86 -38.28 85.04 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.655 -0.702 . . . . 10.0 110.3 179.825 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 41' ' ' ARG . . . . . 0.426 ' HD3' ' OE2' ' B' ' 27' ' ' GLU . 11.3 mmm180 -64.65 -44.31 90.87 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.854 -0.612 . . . . 10.0 110.041 179.128 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 42' ' ' GLU . . . . . . . . . . . . . 54.6 mt-10 -57.75 -42.94 85.01 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.664 -0.698 . . . . 10.0 111.055 -179.794 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 43' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -61.76 -53.03 61.57 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.302 0.573 . . . . 10.0 111.738 -179.845 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 44' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -68.45 -24.28 64.7 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.752 -0.658 . . . . 10.0 112.394 -178.225 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 45' ' ' SER . . . . . . . . . . . . . 68.9 m -73.34 -23.92 60.29 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.142 0.496 . . . . 10.0 110.343 179.216 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 46' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 115.953 -0.567 . . . . 10.0 110.665 179.416 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 12.0 tp . . . . . 0 N--CA 1.475 0.823 0 N-CA-C 109.716 -0.475 . . . . 10.0 109.716 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -103.61 171.84 7.14 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.095 0.474 . . . . 10.0 111.589 -179.073 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 43.6 mttt -67.71 -37.2 81.92 Favored 'General case' 0 C--O 1.224 -0.249 0 CA-C-N 115.665 -0.698 . . . . 10.0 110.304 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -59.69 -35.07 73.75 Favored 'General case' 0 C--O 1.236 0.384 0 CA-C-N 115.855 -0.611 . . . . 10.0 112.319 -178.958 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 28.0 m-20 -65.56 -32.4 73.96 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.02 -0.536 . . . . 10.0 110.279 -179.773 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 55.4 m-85 -88.76 -31.4 18.42 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.123 -0.489 . . . . 10.0 109.907 179.15 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 67.3 tp -58.63 -49.54 77.14 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.712 -0.676 . . . . 10.0 110.909 -179.918 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 78.0 mmm -62.19 -23.55 66.68 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.951 0.405 . . . . 10.0 111.102 -179.357 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.71 -38.97 32.26 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.125 -0.489 . . . . 10.0 109.961 179.389 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 74.9 mt -82.14 -18.56 42.45 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.77 -0.65 . . . . 10.0 111.187 -179.538 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.466 ' HA ' ' CZ ' ' A' ' 50' ' ' ARG . 27.0 mtt180 -69.69 -11.7 61.05 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.328 -0.397 . . . . 10.0 110.984 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 80.8 mtm-85 -87.87 -6.16 58.23 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.274 -0.421 . . . . 10.0 110.186 178.84 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 39.5 m -98.54 132.71 43.74 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.998 -0.546 . . . . 10.0 109.928 179.152 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -127.92 -175.37 3.46 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.457 -0.338 . . . . 10.0 110.909 -179.331 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 1.2 m 70.68 -2.3 2.3 Favored 'General case' 0 CA--C 1.534 0.349 0 C-N-CA 123.353 0.661 . . . . 10.0 112.552 178.499 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 84.1 mt 72.23 -55.59 0.28 Allowed 'Isoleucine or valine' 0 N--CA 1.472 0.668 0 C-N-CA 122.962 0.505 . . . . 10.0 111.468 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 32.2 t70 -56.41 -41.91 77.11 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.211 -0.449 . . . . 10.0 111.203 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 8.1 m -60.99 -34.9 75.52 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.182 0.515 . . . . 10.0 110.218 179.058 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.406 ' O ' HG12 ' A' ' 27' ' ' VAL . 20.4 tp -70.76 -36.31 73.05 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.612 -0.722 . . . . 10.0 109.897 179.369 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 2.1 tp10 -66.89 -31.09 71.46 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.148 0.499 . . . . 10.0 110.242 179.865 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 58.3 mtt180 -73.91 -41.46 62.07 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.795 -0.639 . . . . 10.0 111.318 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.438 ' O ' ' HB2' ' A' ' 31' ' ' ASN . 13.0 p -68.84 -42.39 82.63 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.333 0 CA-C-N 116.644 -0.253 . . . . 10.0 111.632 -178.921 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 46.2 pt -68.08 -30.95 49.79 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 O-C-N 122.161 -0.337 . . . . 10.0 111.18 -179.487 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 9.6 tp10 -67.81 -54.19 21.09 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.276 -0.42 . . . . 10.0 110.264 179.645 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 29.1 tttp -64.96 -32.34 74.02 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.099 -0.501 . . . . 10.0 111.029 -179.795 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' ASN . . . . . 0.438 ' HB2' ' O ' ' A' ' 27' ' ' VAL . 0.7 OUTLIER -66.86 -34.56 78.07 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.974 -0.557 . . . . 10.0 111.623 -179.532 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 3.6 mtmp? -61.21 -32.88 72.65 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 112.061 0.393 . . . . 10.0 112.061 -178.855 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 10.0 m-85 -82.02 -3.84 55.42 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.801 0.334 . . . . 10.0 111.046 -179.217 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 4.9 tt0 -112.32 -14.99 13.25 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 121.012 0.434 . . . . 10.0 110.963 -179.324 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 61.9 mt -79.01 163.69 24.99 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.216 -0.447 . . . . 10.0 110.572 -179.777 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' SER . . . . . 0.513 ' O ' ' HB2' ' A' ' 37' ' ' ASP . 0.7 OUTLIER -95.94 -1.68 48.66 Favored 'General case' 0 C--N 1.321 -0.645 0 N-CA-C 109.537 -0.542 . . . . 10.0 109.537 179.789 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 37' ' ' ASP . . . . . 0.513 ' HB2' ' O ' ' A' ' 36' ' ' SER . 97.1 m-20 80.57 -10.37 1.26 Allowed 'General case' 0 C--O 1.248 1.016 0 C-N-CA 125.044 1.338 . . . . 0.0 111.012 178.943 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 38' ' ' ASN . . . . . 0.436 ' OD1' ' HB2' ' A' ' 36' ' ' SER . 2.3 p-10 -85.88 -29.31 23.78 Favored 'General case' 0 C--N 1.332 -0.18 0 O-C-N 120.917 -1.114 . . . . 10.0 109.777 178.377 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -89.5 -5.53 57.21 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.671 -0.695 . . . . 10.0 109.639 179.634 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 21.2 tp -64.1 -23.03 67.17 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.406 -0.815 . . . . 10.0 110.924 -179.649 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -64.13 -49.61 71.46 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.234 -0.439 . . . . 10.0 111.138 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 2.8 m -80.19 -22.93 11.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.406 -0.361 . . . . 10.0 111.128 -179.806 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 53.8 t80 -72.5 -37.0 68.53 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.028 -0.533 . . . . 10.0 110.203 179.66 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -58.77 -51.73 68.75 Favored 'General case' 0 CA--C 1.52 -0.183 0 CA-C-N 116.298 -0.41 . . . . 10.0 110.867 179.813 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 13.0 m -59.87 -35.99 75.96 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.414 -0.357 . . . . 10.0 111.102 179.687 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -65.26 -46.73 79.32 Favored 'General case' 0 C--O 1.234 0.283 0 CA-C-N 116.308 -0.405 . . . . 10.0 110.266 179.321 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -66.39 -43.01 87.05 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.186 -0.461 . . . . 10.0 110.097 179.215 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -58.8 -46.71 86.96 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.769 -0.65 . . . . 10.0 110.121 179.469 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 5.9 t60 -63.34 -46.05 88.41 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.713 -0.676 . . . . 10.0 110.352 179.451 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' ARG . . . . . 0.466 ' CZ ' ' HA ' ' A' ' 16' ' ' ARG . 31.0 tpt180 -64.72 -39.85 94.35 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.969 -0.559 . . . . 10.0 111.462 -179.209 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 36.7 tp -61.83 -42.22 98.76 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.62 0.248 . . . . 10.0 110.626 -179.751 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.603 ' HA ' HD11 ' A' ' 71' ' ' ILE . . . -60.03 -49.33 78.09 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.236 -0.438 . . . . 10.0 111.914 -179.745 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -74.44 -29.73 61.6 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.486 -0.324 . . . . 10.0 111.662 -178.96 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 15.8 tp -73.51 -40.81 63.77 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 120.504 0.192 . . . . 10.0 111.398 -179.335 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 23.6 m -64.31 -34.45 78.16 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.974 0.416 . . . . 10.0 110.592 179.735 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 88.2 mmm -84.98 -12.9 52.24 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.918 -0.583 . . . . 10.0 110.351 179.165 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 49.7 t30 62.21 38.03 13.8 Favored 'General case' 0 C--O 1.233 0.199 0 CA-C-N 115.491 -0.777 . . . . 10.0 110.88 -179.521 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 22.6 tptp -150.88 121.1 7.25 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.758 -0.655 . . . . 10.0 109.744 -179.911 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 6.3 mp -66.14 127.13 30.92 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 120.944 0.402 . . . . 10.0 110.953 -179.824 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 38.0 m-85 -127.43 128.2 45.38 Favored 'General case' 0 C--O 1.238 0.462 0 CA-C-N 116.007 -0.542 . . . . 10.0 111.438 -179.576 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -65.97 -46.0 79.66 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 108.336 -0.987 . . . . 10.0 108.336 177.489 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 34.3 pttt -114.93 151.45 34.03 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 114.797 -1.092 . . . . 10.0 108.485 178.153 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 27.8 mm -110.68 127.18 27.38 Favored Pre-proline 0 C--N 1.321 -0.641 0 N-CA-C 112.187 0.44 . . . . 10.0 112.187 -178.134 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 64' ' ' PRO . . . . . 0.446 ' O ' HG12 ' A' ' 67' ' ' VAL . 49.5 Cg_endo -74.23 137.03 22.99 Favored 'Trans proline' 0 C--N 1.345 0.367 0 C-N-CA 122.41 2.073 . . . . 10.0 111.518 178.047 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 65' ' ' SER . . . . . 0.494 ' HA ' ' CD1' ' A' ' 68' ' ' TRP . 0.9 OUTLIER -61.1 -24.54 66.31 Favored 'General case' 0 C--N 1.321 -0.652 0 N-CA-C 113.335 0.865 . . . . 10.0 113.335 -178.41 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 95.7 p -76.71 -5.41 47.93 Favored 'General case' 0 C--O 1.258 1.512 0 O-C-N 121.375 -0.828 . . . . 0.0 111.003 -177.864 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.446 HG12 ' O ' ' A' ' 64' ' ' PRO . 1.9 p -97.85 -17.88 6.57 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.348 0 CA-C-N 119.876 1.216 . . . . 10.0 112.32 -177.651 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 68' ' ' TRP . . . . . 0.562 ' HB2' HG11 ' C' ' 35' ' ' VAL . 76.0 m95 -64.15 -24.12 67.57 Favored 'General case' 0 N--CA 1.463 0.213 0 CA-C-O 120.86 0.362 . . . . 10.0 111.586 -179.101 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 21.5 tptp -65.98 -25.88 67.3 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.21 -0.45 . . . . 10.0 111.862 -178.918 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 89.3 m-85 -93.61 0.98 56.79 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.756 0.312 . . . . 10.0 111.637 -178.914 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.603 HD11 ' HA ' ' A' ' 52' ' ' ALA . 1.4 mp -87.88 138.1 19.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-O 121.0 0.428 . . . . 10.0 110.781 -179.47 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 31.9 mtp-105 . . . . . 0 C--O 1.249 1.041 0 CA-C-O 118.127 -0.94 . . . . 10.0 109.906 179.68 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.451 -0.395 0 N-CA-C 109.565 -0.532 . . . . 10.0 109.565 . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . -67.03 -45.16 78.33 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.603 -0.726 . . . . 10.0 110.861 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 5' ' ' LEU . . . . . 0.7 ' CD2' ' SG ' ' C' ' 21' ' ' CYS . 7.0 mp -78.33 0.9 23.68 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.296 -0.411 . . . . 10.0 111.289 -179.787 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 35.3 ttpt -92.88 -48.48 6.52 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.072 -0.513 . . . . 10.0 109.812 179.062 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 7' ' ' ILE . . . . . . . . . . . . . 1.1 pt -73.9 -18.93 17.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-N 115.831 -0.622 . . . . 10.0 111.094 -179.858 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 1.4 mp -74.39 -19.0 60.59 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.917 -0.583 . . . . 10.0 111.863 -179.522 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 9' ' ' ASN . . . . . . . . . . . . . 13.1 t-20 -86.26 -17.65 34.13 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.857 0.36 . . . . 10.0 110.945 -179.371 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 10' ' ' ASN . . . . . 0.504 ' OD1' ' HB2' ' B' ' 12' ' ' ARG . 12.8 t-20 -99.28 123.21 43.38 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-O 120.917 0.389 . . . . 10.0 110.472 -179.717 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 81.7 mt -58.0 -37.23 60.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 CA-C-N 115.734 -0.666 . . . . 10.0 112.085 -179.295 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 12' ' ' ARG . . . . . 0.504 ' HB2' ' OD1' ' B' ' 10' ' ' ASN . 99.7 mtt180 -61.17 -53.45 56.77 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 111.862 0.319 . . . . 10.0 111.862 -178.952 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 13' ' ' THR . . . . . 0.45 ' OG1' ' HB3' ' B' ' 10' ' ' ASN . 0.6 OUTLIER -67.58 -35.41 78.96 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 120.783 0.325 . . . . 10.0 111.2 -179.72 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 14' ' ' LEU . . . . . 0.401 HD12 ' HA ' ' B' ' 14' ' ' LEU . 12.8 tp -66.53 -38.39 87.08 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.283 -0.417 . . . . 10.0 110.83 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 15' ' ' ARG . . . . . 0.409 ' O ' ' HG2' ' B' ' 19' ' ' ARG . 19.9 mtt85 -59.73 -46.24 89.73 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.368 -0.378 . . . . 10.0 110.542 179.525 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 16' ' ' ALA . . . . . . . . . . . . . . . -70.14 -34.45 73.06 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.085 -0.507 . . . . 10.0 110.76 -179.728 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 17' ' ' GLN . . . . . . . . . . . . . 24.5 tp60 -67.61 -40.83 84.7 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.777 -0.647 . . . . 10.0 110.819 179.808 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -75.43 6.69 4.29 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 112.219 0.451 . . . . 10.0 112.219 -179.316 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 19' ' ' ARG . . . . . 0.409 ' HG2' ' O ' ' B' ' 15' ' ' ARG . 30.5 mmt180 -94.44 -8.44 38.56 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 122.322 -0.236 . . . . 10.0 110.918 179.609 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 2.9 pt-20 -88.17 -18.33 28.96 Favored 'General case' 0 N--CA 1.463 0.206 0 CA-C-O 120.913 0.387 . . . . 10.0 110.768 -179.774 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 21' ' ' CYS . . . . . 0.998 ' SG ' HD21 ' B' ' 26' ' ' LEU . 32.0 p -120.86 159.56 25.26 Favored 'General case' 0 CA--C 1.51 -0.574 0 CA-C-O 121.33 0.586 . . . . 0.0 111.013 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -85.55 170.77 12.28 Favored 'General case' 0 N--CA 1.452 -0.35 0 CA-C-N 115.558 -0.746 . . . . 10.0 110.697 179.153 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 52.3 tp -63.67 -31.79 73.07 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.657 -0.247 . . . . 10.0 111.116 -179.275 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 4.2 tp10 -52.27 -49.51 63.97 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.034 0.445 . . . . 10.0 110.832 179.631 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -73.19 -39.34 65.67 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.884 -0.598 . . . . 10.0 111.314 -179.947 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 26' ' ' LEU . . . . . 0.998 HD21 ' SG ' ' B' ' 21' ' ' CYS . 89.9 mt -65.14 -47.54 76.72 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.2 -0.455 . . . . 10.0 111.928 -179.295 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 27' ' ' GLU . . . . . 0.561 ' OE1' ' HD3' ' C' ' 41' ' ' ARG . 1.8 tp10 -63.15 -36.37 83.38 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.044 0.45 . . . . 10.0 110.929 -179.8 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 13.4 tt0 -70.64 -45.61 64.84 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.365 -0.38 . . . . 10.0 111.046 -179.846 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 29' ' ' MET . . . . . 0.534 ' HG3' ' O ' ' B' ' 26' ' ' LEU . 5.3 ppp? -66.91 -26.42 66.86 Favored 'General case' 0 CA--C 1.52 -0.183 0 N-CA-C 110.272 -0.269 . . . . 10.0 110.272 179.916 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 19.7 tp -59.2 -49.06 79.28 Favored 'General case' 0 N--CA 1.455 -0.189 0 N-CA-C 109.32 -0.622 . . . . 10.0 109.32 178.825 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 59.3 mt-10 -62.82 -45.73 91.24 Favored 'General case' 0 CA--C 1.52 -0.207 0 CA-C-N 115.631 -0.713 . . . . 10.0 110.297 179.2 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 32' ' ' LYS . . . . . 0.442 ' O ' HG23 ' B' ' 36' ' ' VAL . 81.2 mttt -59.27 -41.31 88.54 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.553 -0.749 . . . . 10.0 111.887 -179.077 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 33' ' ' LEU . . . . . 0.694 HD23 HD22 ' C' ' 33' ' ' LEU . 25.9 tp -78.36 -35.11 47.86 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 120.877 0.37 . . . . 10.0 110.75 179.722 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 16.0 tt0 -63.65 -44.18 94.57 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.106 -0.497 . . . . 10.0 110.915 -179.736 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 35' ' ' VAL . . . . . 0.407 ' O ' ' HG3' ' B' ' 39' ' ' GLU . 30.0 m -64.69 -29.9 48.7 Favored 'Isoleucine or valine' 0 C--N 1.334 -0.098 0 C-N-CA 120.721 -0.392 . . . . 10.0 110.526 179.892 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 36' ' ' VAL . . . . . 0.442 HG23 ' O ' ' B' ' 32' ' ' LYS . 46.4 t -65.79 -45.78 90.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 N-CA-C 109.343 -0.614 . . . . 10.0 109.343 178.547 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 37' ' ' VAL . . . . . 0.419 HG23 ' O ' ' B' ' 33' ' ' LEU . 48.1 t -63.47 -35.89 74.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 115.765 -0.652 . . . . 10.0 109.338 178.88 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 5.4 t-20 -63.95 -44.85 91.59 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.496 -0.774 . . . . 10.0 109.896 179.017 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 39' ' ' GLU . . . . . 0.456 ' O ' ' HG3' ' B' ' 43' ' ' GLU . 95.6 mt-10 -61.84 -47.3 85.69 Favored 'General case' 0 C--O 1.234 0.241 0 CA-C-N 116.016 -0.538 . . . . 10.0 109.644 178.741 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -59.65 -41.04 89.66 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 115.544 -0.753 . . . . 10.0 110.588 179.626 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 41' ' ' ARG . . . . . 0.401 HH21 ' CD ' ' C' ' 27' ' ' GLU . 38.9 mtt180 -64.82 -36.72 85.24 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.204 -0.453 . . . . 10.0 110.26 179.241 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 34.4 tt0 -64.43 -44.67 90.46 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.171 -0.468 . . . . 10.0 109.831 179.117 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 43' ' ' GLU . . . . . 0.456 ' HG3' ' O ' ' B' ' 39' ' ' GLU . 42.6 mt-10 -55.5 -51.45 66.97 Favored 'General case' 0 N--CA 1.463 0.186 0 CA-C-N 115.855 -0.611 . . . . 10.0 110.632 179.419 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -66.85 -34.7 78.38 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.466 -0.788 . . . . 10.0 111.955 -178.924 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 45' ' ' SER . . . . . . . . . . . . . 44.9 m -72.9 -25.18 60.97 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.881 0.372 . . . . 10.0 111.262 -179.719 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.43 0 CA-C-N 116.315 -0.402 . . . . 10.0 111.54 -179.461 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' C' C ' 3' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 . . . . . 0 N--CA 1.452 -0.352 0 CA-C-O 121.049 0.452 . . . . 10.0 110.585 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' C' C ' 4' ' ' ALA . . . . . . . . . . . . . . . -96.12 -29.07 14.29 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.977 -0.556 . . . . 10.0 111.28 -179.369 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 5' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -78.29 -1.81 34.89 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.023 -0.535 . . . . 10.0 112.181 -178.864 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 6' ' ' LYS . . . . . . . . . . . . . 27.0 tptt -75.42 -39.22 59.18 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.636 0.255 . . . . 10.0 111.619 -179.217 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 7' ' ' ILE . . . . . 0.415 ' H ' HG13 ' C' ' 7' ' ' ILE . 1.4 pp -72.49 -20.14 19.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 N-CA-C 112.392 0.516 . . . . 10.0 112.392 -178.96 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 8' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -79.74 -6.56 57.48 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 121.265 0.555 . . . . 10.0 110.642 179.901 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 9' ' ' ASN . . . . . . . . . . . . . 28.5 t-20 -84.42 -27.65 27.43 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.947 -0.57 . . . . 10.0 110.509 179.857 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 10' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -99.12 121.61 41.24 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.826 -0.625 . . . . 10.0 110.347 -179.215 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 11' ' ' ILE . . . . . . . . . . . . . 10.3 tp -62.83 -26.01 39.77 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.4 0 CA-C-N 116.462 -0.336 . . . . 10.0 111.647 -179.431 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 12' ' ' ARG . . . . . . . . . . . . . 9.3 mmt180 -62.1 -56.06 22.65 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 121.048 0.451 . . . . 10.0 110.921 -179.612 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 13' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -69.55 -39.64 77.31 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.968 -0.56 . . . . 10.0 110.799 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 14' ' ' LEU . . . . . . . . . . . . . 13.2 tp -54.73 -53.55 53.49 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.463 -0.79 . . . . 10.0 112.075 -179.106 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 15' ' ' ARG . . . . . . . . . . . . . 34.8 ttm180 -65.43 -36.01 82.65 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.632 0.254 . . . . 10.0 111.266 -179.611 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 16' ' ' ALA . . . . . . . . . . . . . . . -66.55 -39.2 88.43 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.304 -0.407 . . . . 10.0 111.846 -179.396 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 17' ' ' GLN . . . . . . . . . . . . . 45.3 mt-30 -83.26 -31.19 27.08 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.556 -0.293 . . . . 10.0 111.346 -179.613 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 18' ' ' ALA . . . . . . . . . . . . . . . -69.65 -24.68 63.65 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.683 0.277 . . . . 10.0 111.364 -179.776 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 19' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -72.19 -12.21 61.08 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.784 0.326 . . . . 10.0 111.27 -179.777 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 20' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -82.22 -30.41 30.82 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 120.964 0.412 . . . . 10.0 110.47 -179.736 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 21' ' ' CYS . . . . . 0.7 ' SG ' ' CD2' ' B' ' 5' ' ' LEU . 74.6 m -94.61 151.34 19.4 Favored 'General case' 0 CA--C 1.511 -0.54 0 CA-C-N 115.815 -0.629 . . . . 0.0 110.914 179.931 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 22' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -72.53 154.54 40.77 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.62 -0.718 . . . . 10.0 110.945 178.339 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 37.9 tp -58.39 -31.73 67.94 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.343 -0.389 . . . . 10.0 111.054 179.707 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 24' ' ' GLU . . . . . . . . . . . . . 14.2 tt0 -58.8 -49.93 75.86 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.175 -0.466 . . . . 10.0 110.954 179.694 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 25' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -64.49 -35.25 80.34 Favored 'General case' 0 N--CA 1.45 -0.454 0 CA-C-N 116.35 -0.386 . . . . 10.0 110.865 179.872 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 26' ' ' LEU . . . . . . . . . . . . . 95.6 mt -64.68 -48.33 75.12 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.993 -0.549 . . . . 10.0 110.422 179.547 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 27' ' ' GLU . . . . . 0.401 ' CD ' HH21 ' B' ' 41' ' ' ARG . 59.0 mt-10 -66.66 -37.12 84.14 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.265 -0.425 . . . . 10.0 110.916 179.92 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 28' ' ' GLU . . . . . . . . . . . . . 15.0 tt0 -61.51 -47.24 86.52 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.055 -0.521 . . . . 10.0 110.864 -179.922 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 29' ' ' MET . . . . . . . . . . . . . 21.0 ptp -76.78 -25.12 53.01 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.442 -0.345 . . . . 10.0 111.227 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 30' ' ' LEU . . . . . . . . . . . . . 26.3 tp -62.87 -38.26 90.17 Favored 'General case' 0 C--O 1.232 0.153 0 CA-C-O 120.803 0.335 . . . . 10.0 110.196 179.721 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 31' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -62.86 -34.65 77.81 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.794 -0.639 . . . . 10.0 110.431 179.586 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 32' ' ' LYS . . . . . . . . . . . . . 22.2 mmtp -75.65 -37.11 59.93 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.888 -0.596 . . . . 10.0 109.564 179.48 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 33' ' ' LEU . . . . . 0.694 HD22 HD23 ' B' ' 33' ' ' LEU . 15.8 tp -65.82 -49.44 68.22 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.495 -0.775 . . . . 10.0 111.56 -179.578 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 34' ' ' GLU . . . . . . . . . . . . . 14.8 pt-20 -58.87 -42.44 89.41 Favored 'General case' 0 C--N 1.33 -0.245 0 N-CA-C 111.84 0.311 . . . . 10.0 111.84 -178.726 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 35' ' ' VAL . . . . . 0.562 HG11 ' HB2' ' A' ' 68' ' ' TRP . 33.8 m -72.28 -36.57 56.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 C-N-CA 120.411 -0.516 . . . . 10.0 111.223 -179.679 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 36' ' ' VAL . . . . . . . . . . . . . 11.8 t -67.15 -45.89 85.53 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.336 0 CA-C-O 120.998 0.428 . . . . 10.0 110.334 179.675 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 37' ' ' VAL . . . . . . . . . . . . . 60.7 t -62.72 -36.25 74.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.166 -0.47 . . . . 10.0 109.77 178.646 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 38' ' ' ASN . . . . . 0.668 ' O ' ' HG3' ' C' ' 42' ' ' GLU . 23.9 t-20 -63.64 -36.42 83.77 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.912 -0.586 . . . . 10.0 110.393 179.307 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 39' ' ' GLU . . . . . 0.483 ' O ' ' HG3' ' C' ' 43' ' ' GLU . 3.6 mt-10 -61.12 -40.26 93.12 Favored 'General case' 0 N--CA 1.461 0.119 0 CA-C-O 120.916 0.389 . . . . 10.0 110.092 179.412 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 40' ' ' ARG . . . . . 0.538 ' HD2' ' OE1' ' C' ' 43' ' ' GLU . 10.4 mmm180 -71.19 -31.89 68.18 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 115.951 -0.568 . . . . 10.0 109.606 178.725 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 41' ' ' ARG . . . . . 0.561 ' HD3' ' OE1' ' B' ' 27' ' ' GLU . 6.2 mmm-85 -63.28 -45.46 91.34 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.519 -0.764 . . . . 10.0 110.235 178.718 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 42' ' ' GLU . . . . . 0.668 ' HG3' ' O ' ' C' ' 38' ' ' ASN . 30.4 mt-10 -56.55 -37.99 71.27 Favored 'General case' 0 C--N 1.333 -0.14 0 CA-C-N 115.908 -0.587 . . . . 10.0 110.33 179.879 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 43' ' ' GLU . . . . . 0.538 ' OE1' ' HD2' ' C' ' 40' ' ' ARG . 55.1 mt-10 -63.35 -38.78 92.49 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.726 -0.67 . . . . 10.0 111.403 -179.761 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 44' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -77.94 -38.61 45.02 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.468 -0.333 . . . . 10.0 111.386 -179.673 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 45' ' ' SER . . . . . . . . . . . . . 8.9 m -72.59 -20.49 61.29 Favored 'General case' 0 C--O 1.233 0.236 0 N-CA-C 112.054 0.39 . . . . 10.0 112.054 -178.976 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 46' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.418 0 CA-C-O 121.198 0.523 . . . . 10.0 110.163 179.299 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.601 ' N ' ' HH ' ' A' ' 11' ' ' TYR . 67.2 mt . . . . . 0 N--CA 1.48 1.056 0 N-CA-C 110.038 -0.356 . . . . 10.0 110.038 . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -86.92 158.89 19.2 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.386 -0.37 . . . . 10.0 110.068 179.746 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 51.6 tttt -56.51 -34.29 66.84 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.184 -0.462 . . . . 10.0 110.936 179.575 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -73.58 -27.93 61.57 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.829 -0.623 . . . . 10.0 111.419 179.885 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 11.9 m-20 -62.76 -50.81 69.59 Favored 'General case' 0 CA--C 1.52 -0.208 0 CA-C-O 121.067 0.461 . . . . 10.0 110.309 -179.746 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.601 ' HH ' ' N ' ' A' ' 6' ' ' LEU . 44.1 m-85 -65.2 -38.42 90.39 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.716 -0.674 . . . . 10.0 109.953 179.922 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 37.5 tp -61.02 -45.4 94.98 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.917 -0.583 . . . . 10.0 110.631 179.559 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 59.8 mmm -64.77 -27.1 68.67 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.485 -0.325 . . . . 10.0 111.292 -179.923 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -78.7 -45.65 20.82 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.202 0.525 . . . . 10.0 109.65 179.207 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 88.0 mt -74.03 -21.76 59.83 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.79 -0.641 . . . . 10.0 111.79 -179.138 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.527 ' HA ' ' NE ' ' A' ' 50' ' ' ARG . 33.8 mtt180 -72.54 -9.79 59.0 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.832 0.349 . . . . 10.0 111.012 179.676 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.409 HH11 ' HD3' ' A' ' 17' ' ' ARG . 20.9 mtm-85 -88.62 -10.85 47.22 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 109.209 -0.663 . . . . 10.0 109.209 178.294 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 57.4 m -93.63 136.75 33.6 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.439 -0.8 . . . . 10.0 109.067 178.931 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 4.1 mm-40 -130.62 -175.42 3.65 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.574 -0.285 . . . . 10.0 111.581 -178.824 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 1.1 m 70.01 -4.1 1.59 Allowed 'General case' 0 CA--C 1.538 0.483 0 CA-C-N 115.608 -0.724 . . . . 10.0 112.722 178.61 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 73.5 mt 72.07 -53.32 0.26 Allowed 'Isoleucine or valine' 0 N--CA 1.471 0.604 0 C-N-CA 123.04 0.536 . . . . 10.0 111.36 -179.854 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 6.1 t70 -53.83 -45.08 70.76 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.723 -0.671 . . . . 10.0 111.852 -179.848 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 1.6 m -65.29 -33.26 75.56 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.875 0.369 . . . . 10.0 110.942 179.853 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 25.3 tp -67.7 -51.04 54.17 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.125 -0.489 . . . . 10.0 110.894 179.775 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 33.5 mt-10 -64.33 -14.93 59.06 Favored 'General case' 0 N--CA 1.464 0.269 0 CA-C-N 116.211 -0.449 . . . . 10.0 111.5 -179.458 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 8.1 ttm105 -87.19 -44.49 11.44 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.372 -0.377 . . . . 10.0 111.088 179.8 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 10.7 p -73.91 -34.03 38.49 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.435 0 N-CA-C 112.035 0.383 . . . . 10.0 112.035 -178.805 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 48.9 pt -67.76 -36.98 77.73 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.213 0 C-N-CA 120.744 -0.382 . . . . 10.0 111.54 -179.372 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 46.3 tp10 -67.15 -38.58 85.76 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 121.028 0.442 . . . . 10.0 109.987 179.796 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 96.1 mttt -68.77 -43.22 76.22 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.978 -0.556 . . . . 10.0 110.398 179.519 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -67.13 -25.84 66.39 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.171 -0.468 . . . . 10.0 110.468 179.789 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 32.8 ttmt -61.72 -35.55 78.39 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.072 0.463 . . . . 10.0 110.17 179.197 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 15.8 m-85 -83.27 2.11 37.63 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.992 -0.549 . . . . 10.0 111.311 -179.767 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 57.0 mt-10 -128.8 22.03 5.87 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.867 0.365 . . . . 10.0 111.498 -178.911 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 21.3 mt -109.39 159.32 17.11 Favored 'General case' 0 C--N 1.325 -0.461 0 C-N-CA 121.08 -0.248 . . . . 10.0 110.361 179.704 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' SER . . . . . 0.483 ' O ' ' HB2' ' A' ' 37' ' ' ASP . 0.8 OUTLIER -88.69 9.33 24.66 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 120.844 0.354 . . . . 10.0 111.068 -179.262 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 37' ' ' ASP . . . . . 0.483 ' HB2' ' O ' ' A' ' 36' ' ' SER . 98.6 m-20 76.96 -34.84 0.22 Allowed 'General case' 0 C--O 1.253 1.275 0 C-N-CA 124.353 1.061 . . . . 0.0 110.99 178.094 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -68.74 -44.83 72.98 Favored 'General case' 0 C--N 1.327 -0.388 0 O-C-N 121.089 -1.007 . . . . 10.0 111.723 -179.386 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -74.2 -14.3 60.92 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.327 0.584 . . . . 10.0 110.441 -179.167 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 46.1 tp -67.03 -18.82 65.54 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.592 -0.731 . . . . 10.0 110.559 179.831 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -62.06 -44.95 95.58 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.032 -0.531 . . . . 10.0 110.855 179.735 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -87.17 -23.27 6.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.168 -0.469 . . . . 10.0 110.818 179.75 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 55.8 t80 -67.45 -35.53 79.39 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.067 -0.515 . . . . 10.0 110.41 179.657 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -59.7 -53.16 61.28 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 116.117 -0.492 . . . . 10.0 110.478 179.394 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 45' ' ' SER . . . . . 0.415 ' HB3' ' OE1' ' C' ' 28' ' ' GLU . 1.4 m -62.3 -31.44 72.04 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.065 -0.516 . . . . 10.0 111.277 -179.863 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -65.92 -49.54 67.63 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.845 0.355 . . . . 10.0 110.472 179.5 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -66.12 -43.06 88.22 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.08 -0.509 . . . . 10.0 110.154 179.546 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -58.02 -51.05 71.26 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.88 -0.6 . . . . 10.0 110.515 179.649 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 3.2 t60 -60.68 -38.46 85.03 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.817 -0.629 . . . . 10.0 110.861 -179.877 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' ARG . . . . . 0.527 ' NE ' ' HA ' ' A' ' 16' ' ' ARG . 31.4 tpt180 -69.61 -37.93 77.05 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.179 -0.464 . . . . 10.0 111.035 -179.728 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 25.3 tp -66.43 -39.57 88.99 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.721 -0.218 . . . . 10.0 110.984 -179.5 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.463 ' HB2' ' CH2' ' A' ' 68' ' ' TRP . . . -57.77 -49.24 77.27 Favored 'General case' 0 C--O 1.235 0.337 0 CA-C-N 116.384 -0.371 . . . . 10.0 111.776 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 7.6 pt-20 -72.01 -30.77 65.56 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.314 -0.403 . . . . 10.0 111.346 -179.341 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.481 HD12 ' HA ' ' A' ' 54' ' ' LEU . 7.4 tp -73.78 -49.46 25.29 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.319 -0.4 . . . . 10.0 111.589 -179.126 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 93.4 m -61.83 -39.15 90.82 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 111.875 0.324 . . . . 10.0 111.875 -179.268 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' MET . . . . . 0.492 ' HG3' ' CG2' ' A' ' 67' ' ' VAL . 30.5 mmm -85.89 -4.44 59.17 Favored 'General case' 0 C--N 1.326 -0.436 0 C-N-CA 121.127 -0.229 . . . . 10.0 111.523 -179.475 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 6.1 t30 54.99 45.91 25.42 Favored 'General case' 0 C--O 1.232 0.148 0 CA-C-O 121.311 0.577 . . . . 10.0 110.593 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 36.1 tttp -162.66 118.45 1.87 Allowed 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.709 -0.678 . . . . 10.0 109.709 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 3.7 mp -74.84 134.43 41.71 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 116.323 -0.398 . . . . 10.0 111.362 -179.382 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 42.6 m-85 -138.23 134.49 34.49 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.531 -0.759 . . . . 10.0 110.175 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -74.04 -42.1 60.77 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 108.766 -0.827 . . . . 10.0 108.766 178.521 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 23.3 pttp -106.17 142.69 35.44 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 108.392 -0.966 . . . . 10.0 108.392 178.245 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 47.7 mm -108.3 120.51 46.43 Favored Pre-proline 0 C--N 1.321 -0.651 0 C-N-CA 120.954 -0.298 . . . . 10.0 111.536 -178.521 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 64' ' ' PRO . . . . . 0.442 ' HG2' ' HB ' ' A' ' 67' ' ' VAL . 59.9 Cg_endo -82.39 137.39 9.25 Favored 'Trans proline' 0 N--CA 1.453 -0.892 0 C-N-CA 122.348 2.032 . . . . 10.0 110.843 177.949 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -56.73 -25.66 55.16 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 112.223 0.453 . . . . 10.0 112.223 -178.814 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 95.8 p -76.49 -1.18 25.93 Favored 'General case' 0 C--O 1.258 1.551 0 O-C-N 121.556 -0.715 . . . . 0.0 110.975 -178.131 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.492 ' CG2' ' HG3' ' A' ' 56' ' ' MET . 0.9 OUTLIER -102.31 -13.77 8.4 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.047 0 CA-C-N 119.86 1.209 . . . . 10.0 112.095 -178.65 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 68' ' ' TRP . . . . . 0.614 ' CZ2' ' HE2' ' C' ' 32' ' ' LYS . 40.6 m95 -73.68 -5.38 40.18 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 112.187 0.44 . . . . 10.0 112.187 -178.763 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 69' ' ' LYS . . . . . 0.432 ' HD3' ' O ' ' A' ' 69' ' ' LYS . 12.8 tppt? -69.86 -29.17 66.34 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.244 0.545 . . . . 10.0 110.201 179.285 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 75.0 m-85 -79.62 -10.9 59.87 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.12 -0.491 . . . . 10.0 111.473 -179.056 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.412 HD11 ' HA ' ' A' ' 52' ' ' ALA . 3.7 mp -102.83 113.32 39.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-O 121.305 0.574 . . . . 10.0 109.995 -179.8 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 72' ' ' ARG . . . . . 0.566 ' HA ' ' NH1' ' B' ' 15' ' ' ARG . 71.9 mtp180 . . . . . 0 C--O 1.246 0.901 0 CA-C-O 118.565 -0.731 . . . . 10.0 110.471 -179.096 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.455 -0.222 0 N-CA-C 109.81 -0.441 . . . . 10.0 109.81 . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . -81.66 -49.3 10.65 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.813 -0.631 . . . . 10.0 111.083 -179.734 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -66.21 -14.28 61.64 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.048 -0.524 . . . . 10.0 111.707 -178.918 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 67.1 tttt -78.68 -29.42 45.57 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 120.951 0.405 . . . . 10.0 110.932 -179.819 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 7' ' ' ILE . . . . . . . . . . . . . 13.9 mt -75.03 -26.24 18.98 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-N 116.144 -0.48 . . . . 10.0 110.646 -179.408 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 10.5 mp -81.59 -10.01 59.54 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.777 -0.647 . . . . 10.0 111.128 -179.405 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 9' ' ' ASN . . . . . . . . . . . . . 19.6 t-20 -71.4 -47.53 55.52 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.026 0.441 . . . . 10.0 110.426 -179.821 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 10' ' ' ASN . . . . . 0.517 ' OD1' ' HB2' ' B' ' 12' ' ' ARG . 20.4 t-20 -104.4 130.3 52.28 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.853 -0.612 . . . . 10.0 110.498 -179.732 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 36.6 mt -65.56 -33.11 61.39 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-N 115.747 -0.661 . . . . 10.0 112.648 -178.678 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 12' ' ' ARG . . . . . 0.517 ' HB2' ' OD1' ' B' ' 10' ' ' ASN . 17.6 mmt85 -63.17 -39.74 95.53 Favored 'General case' 0 N--CA 1.465 0.31 0 CA-C-O 120.676 0.274 . . . . 10.0 111.08 -179.1 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 13' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -77.45 -35.12 54.2 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.096 0.475 . . . . 10.0 110.779 179.586 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 47.3 tp -69.16 -41.12 77.68 Favored 'General case' 0 C--O 1.234 0.285 0 CA-C-N 115.701 -0.681 . . . . 10.0 111.94 -179.304 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 15' ' ' ARG . . . . . 0.566 ' NH1' ' HA ' ' A' ' 72' ' ' ARG . 33.8 mtt180 -56.52 -38.85 72.39 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.459 -0.337 . . . . 10.0 111.312 -179.575 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 16' ' ' ALA . . . . . . . . . . . . . . . -65.45 -41.59 93.27 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.318 -0.401 . . . . 10.0 111.512 -179.887 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 17' ' ' GLN . . . . . 0.559 ' O ' ' HG2' ' B' ' 20' ' ' GLU . 3.4 tp60 -70.61 -33.15 70.72 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.046 0.45 . . . . 10.0 111.25 -179.361 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -68.9 -9.6 52.64 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.217 -0.447 . . . . 10.0 112.106 -179.259 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 19' ' ' ARG . . . . . 0.402 ' HG2' ' O ' ' B' ' 15' ' ' ARG . 20.5 mmm180 -83.19 -8.62 59.46 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 111.958 0.355 . . . . 10.0 111.958 -179.53 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 20' ' ' GLU . . . . . 0.559 ' HG2' ' O ' ' B' ' 17' ' ' GLN . 10.7 pt-20 -100.7 2.83 41.83 Favored 'General case' 0 C--N 1.328 -0.356 0 C-N-CA 120.802 -0.359 . . . . 10.0 111.146 179.871 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 21' ' ' CYS . . . . . . . . . . . . . 79.3 m -130.28 152.54 49.59 Favored 'General case' 0 CA--C 1.511 -0.536 0 CA-C-O 120.831 0.348 . . . . 0.0 110.956 179.454 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -81.2 164.98 21.92 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.036 -0.529 . . . . 10.0 111.251 179.16 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 47.6 tp -55.02 -47.82 74.21 Favored 'General case' 0 N--CA 1.463 0.2 0 CA-C-N 116.28 -0.418 . . . . 10.0 111.135 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 40.3 mt-10 -56.86 -43.94 81.69 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.148 -0.478 . . . . 10.0 111.426 -179.237 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -64.28 -43.5 94.58 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.835 0.35 . . . . 10.0 111.061 -179.93 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 26' ' ' LEU . . . . . 0.503 ' O ' ' HG3' ' B' ' 29' ' ' MET . 81.8 mt -68.51 -41.57 79.8 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.931 -0.577 . . . . 10.0 110.663 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 23.5 tt0 -64.51 -41.13 96.6 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.261 -0.427 . . . . 10.0 110.51 179.793 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 13.5 tt0 -61.43 -48.84 79.35 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.017 -0.538 . . . . 10.0 110.837 179.747 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 29' ' ' MET . . . . . 0.513 ' SD ' HD21 ' C' ' 33' ' ' LEU . 4.5 ppp? -70.21 -26.76 64.02 Favored 'General case' 0 C--N 1.33 -0.258 0 C-N-CA 121.004 -0.278 . . . . 10.0 110.756 -179.369 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 40.2 tp -62.22 -47.09 85.98 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-O 120.918 0.39 . . . . 10.0 109.963 178.655 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 17.9 mt-10 -65.23 -32.83 74.7 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.765 -0.652 . . . . 10.0 110.534 179.676 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 32' ' ' LYS . . . . . 0.446 ' O ' HG23 ' B' ' 36' ' ' VAL . 13.1 mttt -65.56 -46.16 80.55 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.201 -0.454 . . . . 10.0 110.22 179.492 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 33' ' ' LEU . . . . . 0.486 ' O ' HG23 ' B' ' 37' ' ' VAL . 52.5 tp -70.36 -39.57 74.56 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.422 -0.354 . . . . 10.0 110.658 179.829 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 11.2 tp10 -56.4 -48.8 76.16 Favored 'General case' 0 CA--C 1.532 0.282 0 CA-C-N 116.133 -0.485 . . . . 10.0 111.525 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 35' ' ' VAL . . . . . 0.435 ' O ' ' HG3' ' B' ' 39' ' ' GLU . 27.2 m -64.89 -34.96 73.93 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.276 0 C-N-CA 120.617 -0.433 . . . . 10.0 111.26 -179.52 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 36' ' ' VAL . . . . . 0.446 HG23 ' O ' ' B' ' 32' ' ' LYS . 70.4 t -65.18 -44.01 95.41 Favored 'Isoleucine or valine' 0 C--O 1.238 0.454 0 CA-C-O 121.011 0.434 . . . . 10.0 109.988 179.238 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 37' ' ' VAL . . . . . 0.486 HG23 ' O ' ' B' ' 33' ' ' LEU . 47.6 t -67.44 -38.37 80.59 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.26 0 N-CA-C 109.383 -0.599 . . . . 10.0 109.383 178.88 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 65.3 t30 -60.08 -40.14 88.55 Favored 'General case' 0 C--O 1.234 0.251 0 CA-C-N 116.042 -0.527 . . . . 10.0 109.976 178.889 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 39' ' ' GLU . . . . . 0.435 ' HG3' ' O ' ' B' ' 35' ' ' VAL . 95.2 mt-10 -59.97 -46.33 89.76 Favored 'General case' 0 N--CA 1.456 -0.148 0 N-CA-C 109.37 -0.604 . . . . 10.0 109.37 178.295 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 40' ' ' ARG . . . . . 0.43 HH11 ' HD3' ' B' ' 40' ' ' ARG . 9.6 mmm-85 -61.84 -41.12 97.41 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 115.649 -0.705 . . . . 10.0 110.681 179.458 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 41' ' ' ARG . . . . . . . . . . . . . 59.5 mtt180 -56.93 -44.12 82.14 Favored 'General case' 0 CA--C 1.521 -0.147 0 N-CA-C 109.624 -0.51 . . . . 10.0 109.624 178.954 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 7.0 tp10 -69.8 -46.72 65.08 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.431 -0.804 . . . . 10.0 111.004 -179.823 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 50.1 mt-10 -58.63 -35.91 73.24 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.453 -0.34 . . . . 10.0 111.791 -178.943 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -83.72 -32.83 25.3 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 112.356 0.502 . . . . 10.0 112.356 -179.266 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 45' ' ' SER . . . . . . . . . . . . . 23.2 p -79.2 -25.66 42.68 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.895 0.378 . . . . 10.0 110.827 -179.688 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.45 0 CA-C-N 116.15 -0.477 . . . . 10.0 110.85 179.325 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' C' C ' 3' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.143 0 CA-C-O 120.807 0.337 . . . . 10.0 111.101 . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 4' ' ' ALA . . . . . . . . . . . . . . . -61.15 -38.07 85.1 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.286 -0.416 . . . . 10.0 111.612 -179.159 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 5' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -67.57 -24.51 65.52 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.129 -0.487 . . . . 10.0 111.516 -179.424 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 6' ' ' LYS . . . . . . . . . . . . . 20.0 tptm -73.16 -38.39 66.22 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.763 0.316 . . . . 10.0 111.164 -179.465 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 7' ' ' ILE . . . . . . . . . . . . . 7.6 mt -66.99 -33.5 63.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-O 121.212 0.53 . . . . 10.0 110.513 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 8' ' ' LEU . . . . . . . . . . . . . 9.0 mp -79.13 -5.87 55.17 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.287 -0.869 . . . . 10.0 111.219 -179.46 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 9' ' ' ASN . . . . . . . . . . . . . 2.4 t-20 -86.32 -14.17 44.4 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.024 0.44 . . . . 10.0 110.406 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 10' ' ' ASN . . . . . 0.523 ' HB3' ' OG1' ' C' ' 13' ' ' THR . 15.2 t-20 -103.24 115.72 31.11 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.73 -0.668 . . . . 10.0 110.032 -179.776 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 11' ' ' ILE . . . . . . . . . . . . . 4.6 tp -58.57 -27.57 34.26 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.353 0 CA-C-N 115.833 -0.621 . . . . 10.0 112.443 -178.632 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 12' ' ' ARG . . . . . . . . . . . . . 15.1 mmt180 -69.02 -56.54 7.44 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.695 0.283 . . . . 10.0 111.026 -179.611 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 13' ' ' THR . . . . . 0.523 ' OG1' ' HB3' ' C' ' 10' ' ' ASN . 1.2 p -67.7 -34.11 76.23 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.187 -0.46 . . . . 10.0 110.995 -179.507 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 14' ' ' LEU . . . . . . . . . . . . . 28.1 tp -59.81 -51.13 71.04 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.164 -0.471 . . . . 10.0 110.296 179.588 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 15' ' ' ARG . . . . . 0.405 HH11 ' HD2' ' C' ' 15' ' ' ARG . 36.5 ttm105 -64.5 -36.05 82.95 Favored 'General case' 0 CA--C 1.532 0.281 0 CA-C-O 120.922 0.391 . . . . 10.0 110.266 179.78 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 16' ' ' ALA . . . . . . . . . . . . . . . -65.3 -46.41 80.5 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.174 -0.466 . . . . 10.0 111.677 -179.907 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 17' ' ' GLN . . . . . . . . . . . . . 98.2 mt-30 -74.21 -39.21 63.27 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.945 0.402 . . . . 10.0 111.49 -179.35 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 18' ' ' ALA . . . . . . . . . . . . . . . -67.32 -28.02 67.64 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.381 -0.372 . . . . 10.0 111.906 -179.532 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 19' ' ' ARG . . . . . . . . . . . . . 7.7 mtt180 -68.62 -12.98 62.04 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 111.938 0.347 . . . . 10.0 111.938 -179.32 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 20' ' ' GLU . . . . . . . . . . . . . 22.7 mt-10 -92.16 -1.47 57.14 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.979 0.418 . . . . 10.0 110.231 179.202 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 21' ' ' CYS . . . . . . . . . . . . . 71.8 m -111.82 153.28 26.82 Favored 'General case' 0 CA--C 1.511 -0.534 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.977 179.574 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 22' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -76.84 152.04 35.64 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.74 -0.664 . . . . 10.0 110.843 179.903 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 16.3 tp -62.83 -33.42 75.19 Favored 'General case' 0 C--N 1.332 -0.17 0 N-CA-C 110.027 -0.36 . . . . 10.0 110.027 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 24' ' ' GLU . . . . . . . . . . . . . 2.2 tp10 -53.9 -44.32 70.4 Favored 'General case' 0 C--O 1.231 0.079 0 CA-C-N 115.819 -0.628 . . . . 10.0 109.901 178.743 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 25' ' ' THR . . . . . 0.451 ' O ' ' HB3' ' C' ' 29' ' ' MET . 0.2 OUTLIER -78.02 -38.73 44.05 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.693 -0.685 . . . . 10.0 111.32 -179.574 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' C' C ' 26' ' ' LEU . . . . . . . . . . . . . 94.4 mt -64.19 -45.62 87.56 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.295 -0.411 . . . . 10.0 111.822 -179.347 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 27' ' ' GLU . . . . . . . . . . . . . 6.6 tp10 -65.82 -50.63 63.93 Favored 'General case' 0 C--N 1.327 -0.408 0 C-N-CA 121.198 -0.201 . . . . 10.0 111.187 -179.209 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 28' ' ' GLU . . . . . 0.415 ' OE1' ' HB3' ' A' ' 45' ' ' SER . 2.0 tt0 -69.69 -4.31 19.04 Favored 'General case' 0 N--CA 1.469 0.517 0 N-CA-C 111.736 0.273 . . . . 10.0 111.736 -179.176 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 29' ' ' MET . . . . . 0.451 ' HB3' ' O ' ' C' ' 25' ' ' THR . 3.2 ptp -105.36 -31.54 9.0 Favored 'General case' 0 C--N 1.33 -0.256 0 N-CA-C 109.714 -0.476 . . . . 10.0 109.714 177.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 30' ' ' LEU . . . . . . . . . . . . . 34.5 tp -70.88 -37.45 73.03 Favored 'General case' 0 CA--C 1.518 -0.269 0 N-CA-C 109.766 -0.457 . . . . 10.0 109.766 179.302 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 31' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -60.55 -27.82 67.96 Favored 'General case' 0 N--CA 1.455 -0.209 0 CA-C-N 115.932 -0.576 . . . . 10.0 110.467 179.379 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 32' ' ' LYS . . . . . 0.614 ' HE2' ' CZ2' ' A' ' 68' ' ' TRP . 31.8 mmtp -77.09 -34.41 56.9 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.162 0.506 . . . . 10.0 110.531 179.638 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 33' ' ' LEU . . . . . 0.513 HD21 ' SD ' ' B' ' 29' ' ' MET . 54.8 tp -74.73 -45.54 43.43 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.825 -0.625 . . . . 10.0 111.6 -179.372 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 34' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -61.5 -37.21 82.86 Favored 'General case' 0 C--N 1.33 -0.266 0 C-N-CA 121.021 -0.272 . . . . 10.0 111.583 -178.923 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 35' ' ' VAL . . . . . . . . . . . . . 31.1 m -74.49 -31.4 27.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 C-N-CA 120.743 -0.383 . . . . 10.0 110.525 179.622 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 36' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -67.46 -33.77 64.44 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.288 0 CA-C-O 121.127 0.489 . . . . 10.0 109.745 179.368 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 37' ' ' VAL . . . . . 0.424 HG23 ' O ' ' C' ' 33' ' ' LEU . 57.6 t -77.62 -36.89 23.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 115.969 -0.559 . . . . 10.0 109.911 178.869 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 38' ' ' ASN . . . . . . . . . . . . . 3.0 t30 -60.49 -40.11 90.13 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.993 -0.549 . . . . 10.0 110.361 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 39' ' ' GLU . . . . . . . . . . . . . 10.0 mt-10 -61.28 -39.21 89.56 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.208 -0.451 . . . . 10.0 110.423 179.108 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 40' ' ' ARG . . . . . 0.512 ' HD2' ' OE1' ' C' ' 43' ' ' GLU . 11.8 mmm180 -67.55 -33.99 76.17 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 109.324 -0.621 . . . . 10.0 109.324 178.614 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 41' ' ' ARG . . . . . 0.4 ' HE ' ' HB3' ' C' ' 41' ' ' ARG . 8.7 mmm180 -63.68 -43.63 96.09 Favored 'General case' 0 C--O 1.232 0.151 0 N-CA-C 109.215 -0.661 . . . . 10.0 109.215 178.625 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 42' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -60.67 -43.29 97.84 Favored 'General case' 0 N--CA 1.455 -0.217 0 CA-C-N 115.43 -0.805 . . . . 10.0 110.337 179.334 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 43' ' ' GLU . . . . . 0.512 ' OE1' ' HD2' ' C' ' 40' ' ' ARG . 49.3 mt-10 -56.83 -46.34 81.75 Favored 'General case' 0 C--O 1.233 0.209 0 CA-C-O 120.955 0.407 . . . . 10.0 110.661 179.395 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 44' ' ' GLU . . . . . . . . . . . . . 1.5 tp10 -66.59 -46.62 75.34 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.654 -0.703 . . . . 10.0 111.718 -179.256 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 45' ' ' SER . . . . . . . . . . . . . 69.3 m -71.33 -18.12 62.41 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 112.179 0.437 . . . . 10.0 112.179 -179.201 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 46' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.351 0 CA-C-O 121.041 0.448 . . . . 10.0 111.131 -179.988 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.482 1.137 0 CA-C-O 120.512 0.196 . . . . 10.0 110.627 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -91.12 153.94 19.71 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.544 -0.298 . . . . 10.0 110.582 179.685 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 37.7 pttt -70.57 -20.13 62.81 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.752 0.311 . . . . 10.0 110.893 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -67.48 -37.54 83.05 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.301 -0.409 . . . . 10.0 110.649 179.177 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 31.2 m-20 -61.04 -50.58 72.77 Favored 'General case' 0 CA--C 1.521 -0.162 0 CA-C-O 121.401 0.62 . . . . 10.0 109.847 179.543 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 84.7 m-85 -65.59 -35.64 81.42 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.295 -0.866 . . . . 10.0 110.501 179.481 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 60.9 tp -60.45 -42.4 96.06 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.51 -0.313 . . . . 10.0 110.447 179.658 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 14.9 mmt -70.35 -33.8 71.88 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.785 0.326 . . . . 10.0 110.938 -179.756 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.65 -32.29 63.92 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.276 -0.42 . . . . 10.0 110.565 179.602 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 81.8 mt -86.91 -18.28 31.19 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.449 -0.342 . . . . 10.0 111.417 -179.647 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . 0.488 ' HA ' ' NE ' ' A' ' 50' ' ' ARG . 49.8 mtt180 -72.58 -7.04 48.14 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.878 0.371 . . . . 10.0 110.8 179.724 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 61.4 mtm-85 -84.18 -13.82 51.79 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.147 -0.479 . . . . 10.0 109.97 178.763 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 20.7 m -95.89 134.78 38.46 Favored 'General case' 0 C--O 1.236 0.351 0 CA-C-N 115.695 -0.684 . . . . 10.0 109.892 179.181 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 19.3 mm-40 -120.85 -166.99 1.41 Allowed 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.358 -0.383 . . . . 10.0 110.817 -179.378 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . 0.432 ' O ' ' HB ' ' A' ' 21' ' ' ILE . 11.0 p 60.48 -3.7 0.13 Allowed 'General case' 0 N--CA 1.473 0.711 0 N-CA-C 114.531 1.308 . . . . 10.0 114.531 179.052 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.432 ' HB ' ' O ' ' A' ' 20' ' ' THR . 98.7 mt 71.97 -51.82 0.24 Allowed 'Isoleucine or valine' 0 N--CA 1.474 0.749 0 C-N-CA 122.756 0.422 . . . . 10.0 110.858 -178.952 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -55.3 -39.57 70.05 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.661 -0.7 . . . . 10.0 111.205 179.793 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 5.1 m -65.97 -34.72 78.75 Favored 'General case' 0 C--O 1.235 0.29 0 CA-C-O 121.108 0.48 . . . . 10.0 110.771 179.099 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.493 ' O ' HG12 ' A' ' 28' ' ' ILE . 34.3 tp -68.17 -37.71 81.29 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.958 -0.565 . . . . 10.0 110.646 -179.466 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 19.2 tp10 -64.21 -25.97 68.3 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.039 0.447 . . . . 10.0 111.182 -179.7 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 27.8 mtt85 -80.47 -41.6 24.07 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.565 -0.289 . . . . 10.0 111.583 -179.761 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 13.8 p -68.72 -41.25 82.43 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 C-N-CA 120.906 -0.318 . . . . 10.0 111.308 -178.912 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.493 HG12 ' O ' ' A' ' 24' ' ' LEU . 40.0 pt -67.98 -30.55 48.57 Favored 'Isoleucine or valine' 0 N--CA 1.461 0.1 0 CA-C-O 120.794 0.331 . . . . 10.0 110.46 179.806 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 45.8 tp10 -67.38 -39.85 85.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.984 -0.553 . . . . 10.0 110.181 179.217 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 33.5 mttp -75.6 -47.83 24.88 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.0 -0.546 . . . . 10.0 111.481 -179.516 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . 0.552 ' O ' ' HG ' ' A' ' 35' ' ' LEU . 12.8 m120 -61.81 -24.18 66.7 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.794 0.33 . . . . 10.0 110.796 -179.654 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 18.0 ttmt -57.87 -30.69 66.03 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.911 -0.586 . . . . 10.0 111.083 179.675 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 44.5 m-85 -99.98 5.4 45.16 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.28 -0.418 . . . . 10.0 111.323 -179.31 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 72.9 mt-10 -109.37 -34.06 6.65 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.352 -0.385 . . . . 10.0 111.058 179.789 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.552 ' HG ' ' O ' ' A' ' 31' ' ' ASN . 53.1 mt -67.35 153.29 44.04 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.254 -0.43 . . . . 10.0 111.312 -179.053 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . 0.631 ' HB2' ' OD1' ' A' ' 38' ' ' ASN . 1.3 m -95.03 15.14 19.66 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.961 -0.563 . . . . 10.0 111.313 -178.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . 0.507 ' HB2' ' O ' ' A' ' 36' ' ' SER . 98.5 m-20 78.69 -26.23 0.18 Allowed 'General case' 0 C--O 1.257 1.5 0 C-N-CA 124.733 1.213 . . . . 0.0 111.06 177.337 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . 0.631 ' OD1' ' HB2' ' A' ' 36' ' ' SER . 3.0 p-10 -72.48 -38.62 68.13 Favored 'General case' 0 C--N 1.322 -0.63 0 O-C-N 120.507 -1.371 . . . . 10.0 111.223 -179.024 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -88.91 -12.06 42.77 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.255 0.55 . . . . 10.0 109.828 -179.832 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 54.8 tp -60.63 -26.38 66.99 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.395 -0.821 . . . . 10.0 110.717 179.607 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -59.14 -52.67 64.73 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.153 -0.476 . . . . 10.0 111.231 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 5.7 m -79.03 -24.3 12.85 Favored 'Isoleucine or valine' 0 C--O 1.233 0.236 0 C-N-CA 120.933 -0.307 . . . . 10.0 110.674 179.612 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 49.2 t80 -64.76 -38.61 91.58 Favored 'General case' 0 C--N 1.33 -0.273 0 N-CA-C 109.665 -0.495 . . . . 10.0 109.665 178.902 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 1.6 m-85 -60.05 -45.25 93.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.026 -0.534 . . . . 10.0 109.711 178.541 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . 0.642 ' O ' ' HB2' ' A' ' 49' ' ' HIS . 23.8 m -62.0 -38.92 90.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.72 -0.673 . . . . 10.0 110.666 179.15 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -65.11 -46.4 81.2 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.327 -0.397 . . . . 10.0 111.031 179.827 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -64.3 -49.57 71.26 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.032 -0.531 . . . . 10.0 110.715 179.737 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 18.7 m-20 -59.15 -45.27 91.41 Favored 'General case' 0 N--CA 1.463 0.211 0 CA-C-O 121.251 0.548 . . . . 10.0 110.147 179.593 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' HIS . . . . . 0.642 ' HB2' ' O ' ' A' ' 45' ' ' SER . 0.7 OUTLIER -61.11 -45.96 92.56 Favored 'General case' 0 N--CA 1.462 0.169 0 CA-C-N 115.566 -0.743 . . . . 10.0 110.63 -180.0 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . 0.488 ' NE ' ' HA ' ' A' ' 16' ' ' ARG . 23.0 tpt180 -63.63 -40.72 97.6 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.644 -0.707 . . . . 10.0 111.525 -179.623 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.415 HD23 HG13 ' A' ' 71' ' ' ILE . 35.7 tp -68.18 -40.21 82.34 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.532 -0.304 . . . . 10.0 110.892 -179.679 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -60.3 -50.49 73.41 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.355 -0.384 . . . . 10.0 111.978 -179.738 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -65.74 -34.65 78.69 Favored 'General case' 0 C--O 1.235 0.292 0 CA-C-O 120.822 0.344 . . . . 10.0 111.073 -179.345 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.414 HD12 ' HA ' ' A' ' 54' ' ' LEU . 8.2 tp -73.55 -34.52 65.21 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.271 -0.422 . . . . 10.0 111.508 -179.474 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 78.3 m -71.02 -42.7 69.21 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.83 0.348 . . . . 10.0 111.102 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 95.1 mmm -79.97 -11.88 59.76 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.222 -0.445 . . . . 10.0 110.815 -179.911 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 21.8 t30 61.12 35.3 18.68 Favored 'General case' 0 N--CA 1.464 0.275 0 CA-C-N 115.546 -0.752 . . . . 10.0 111.041 179.73 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 18.8 tptp -151.59 113.75 4.52 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.721 -0.672 . . . . 10.0 109.478 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 2.2 mp -70.3 130.04 40.93 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 116.14 -0.482 . . . . 10.0 111.495 -179.554 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 21.5 m-85 -138.99 139.36 37.87 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.617 -0.72 . . . . 10.0 109.593 179.368 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 69.8 m-20 -60.56 -54.32 46.85 Favored 'General case' 0 CA--C 1.514 -0.407 0 N-CA-C 108.952 -0.758 . . . . 10.0 108.952 178.791 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -101.92 145.2 29.57 Favored 'General case' 0 N--CA 1.446 -0.667 0 N-CA-C 108.076 -1.083 . . . . 10.0 108.076 177.572 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 40.6 mm -104.87 119.11 54.48 Favored Pre-proline 0 C--N 1.319 -0.75 0 C-N-CA 120.384 -0.526 . . . . 10.0 111.265 -179.188 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . 0.429 ' HB2' HG23 ' A' ' 67' ' ' VAL . 48.6 Cg_exo -55.06 143.69 72.59 Favored 'Trans proline' 0 CA--C 1.532 0.405 0 C-N-CA 122.668 2.245 . . . . 10.0 111.54 178.434 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -55.27 -39.35 69.71 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 113.217 0.821 . . . . 10.0 113.217 -177.881 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 97.8 p -69.11 -9.73 54.16 Favored 'General case' 0 C--O 1.258 1.523 0 O-C-N 121.653 -0.654 . . . . 0.0 111.0 -177.251 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.429 HG23 ' HB2' ' A' ' 64' ' ' PRO . 91.1 t -82.51 -29.2 8.87 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.116 0 CA-C-N 119.462 1.028 . . . . 10.0 111.279 -178.579 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' TRP . . . . . 0.491 ' HA ' HD13 ' A' ' 71' ' ' ILE . 64.7 m95 -63.19 -15.78 58.05 Favored 'General case' 0 N--CA 1.466 0.351 0 CA-C-O 121.12 0.486 . . . . 10.0 111.377 -179.51 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 25.4 tptp -73.4 -18.38 61.16 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.893 -0.594 . . . . 10.0 111.529 -179.493 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 33.9 m-85 -96.13 8.38 43.96 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 111.848 0.314 . . . . 10.0 111.848 -178.667 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . 0.491 HD13 ' HA ' ' A' ' 68' ' ' TRP . 1.7 mp -89.42 127.03 42.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-O 121.005 0.431 . . . . 10.0 110.456 -179.917 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 4.7 mmp_? . . . . . 0 C--O 1.251 1.141 0 CA-C-O 118.431 -0.795 . . . . 10.0 110.071 -179.942 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.449 -0.482 0 CA-C-O 120.935 0.397 . . . . 10.0 110.156 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . -78.06 -37.05 47.56 Favored 'General case' 0 N--CA 1.454 -0.263 0 CA-C-N 116.196 -0.456 . . . . 10.0 110.964 -179.916 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 8.1 mp -72.4 -10.18 59.46 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.313 -0.403 . . . . 10.0 111.24 -179.812 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 9.5 tptt -74.68 -49.33 21.69 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.168 -0.469 . . . . 10.0 110.672 -179.627 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 7' ' ' ILE . . . . . . . . . . . . . 26.9 pt -76.63 -16.45 14.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.035 -0.529 . . . . 10.0 111.345 -179.374 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -75.63 -17.02 60.13 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.897 -0.592 . . . . 10.0 112.106 -179.287 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 9' ' ' ASN . . . . . . . . . . . . . 65.3 t30 -81.77 -5.4 58.13 Favored 'General case' 0 C--N 1.33 -0.28 0 C-N-CA 120.999 -0.28 . . . . 10.0 111.639 -178.89 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 10' ' ' ASN . . . . . 0.486 ' OD1' ' HB2' ' B' ' 12' ' ' ARG . 15.5 t-20 -122.08 128.88 51.86 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.233 0.539 . . . . 10.0 110.901 179.423 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 15.4 mt -61.38 -36.54 73.7 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-N 115.202 -0.908 . . . . 10.0 112.29 -178.456 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 12' ' ' ARG . . . . . 0.486 ' HB2' ' OD1' ' B' ' 10' ' ' ASN . 98.0 mtt180 -64.19 -51.13 65.25 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.746 -0.206 . . . . 10.0 111.475 -179.254 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 13' ' ' THR . . . . . 0.485 ' OG1' ' HB3' ' B' ' 10' ' ' ASN . 0.6 OUTLIER -66.64 -36.03 81.6 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.129 0.49 . . . . 10.0 110.862 179.896 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 11.6 tp -61.8 -38.54 88.47 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.524 -0.762 . . . . 10.0 110.969 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 15' ' ' ARG . . . . . 0.423 ' O ' ' HG2' ' B' ' 19' ' ' ARG . 62.3 mtt180 -61.88 -37.96 86.53 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.27 -0.423 . . . . 10.0 111.256 179.673 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 16' ' ' ALA . . . . . . . . . . . . . . . -67.69 -41.87 82.98 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.358 -0.383 . . . . 10.0 112.014 -179.124 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 17' ' ' GLN . . . . . 0.599 ' O ' ' HG2' ' B' ' 20' ' ' GLU . 0.9 OUTLIER -74.11 -27.23 60.77 Favored 'General case' 0 C--N 1.327 -0.392 0 C-N-CA 120.946 -0.302 . . . . 10.0 110.948 -179.391 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -77.15 0.89 19.99 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.962 0.411 . . . . 10.0 111.214 179.808 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 19' ' ' ARG . . . . . 0.423 ' HG2' ' O ' ' B' ' 15' ' ' ARG . 20.8 mmt180 -88.78 -8.88 53.63 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.293 -0.412 . . . . 10.0 110.77 179.833 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 20' ' ' GLU . . . . . 0.599 ' HG2' ' O ' ' B' ' 17' ' ' GLN . 11.2 pt-20 -107.44 8.72 29.65 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.156 0.503 . . . . 10.0 110.845 -179.821 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 21' ' ' CYS . . . . . 0.456 ' SG ' HD13 ' C' ' 5' ' ' LEU . 65.5 m -127.49 133.99 49.84 Favored 'General case' 0 CA--C 1.511 -0.552 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.967 179.571 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -66.81 159.05 28.94 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 116.325 -0.398 . . . . 10.0 110.68 178.16 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 23' ' ' LEU . . . . . 0.612 HD21 ' HD2' ' C' ' 41' ' ' ARG . 29.6 tp -50.84 -44.38 59.41 Favored 'General case' 0 C--N 1.33 -0.26 0 O-C-N 123.445 0.466 . . . . 10.0 111.646 -179.323 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -53.64 -49.32 68.16 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.917 -0.583 . . . . 10.0 112.055 -179.462 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -61.28 -40.46 94.2 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.469 -0.332 . . . . 10.0 111.235 -179.844 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 82.5 mt -64.01 -44.91 91.18 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.02 -0.536 . . . . 10.0 110.434 -179.873 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 8.8 mt-10 -66.1 -43.22 87.87 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.257 -0.428 . . . . 10.0 110.538 179.339 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 15.2 tt0 -61.37 -46.1 91.62 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.119 -0.491 . . . . 10.0 111.24 -179.728 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 29' ' ' MET . . . . . . . . . . . . . 20.7 ptp -68.5 -31.67 71.09 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.685 -0.234 . . . . 10.0 110.99 -179.355 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 52.3 tp -64.82 -43.43 93.15 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 109.736 -0.468 . . . . 10.0 109.736 179.576 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 -63.71 -40.45 96.79 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.72 -0.673 . . . . 10.0 110.476 179.007 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -66.34 -40.32 89.77 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.802 -0.635 . . . . 10.0 110.862 179.831 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 33' ' ' LEU . . . . . 0.459 ' O ' HG23 ' B' ' 37' ' ' VAL . 26.7 tp -70.96 -37.25 72.78 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.035 0.445 . . . . 10.0 110.034 179.057 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 5.2 tp10 -55.5 -52.21 64.43 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.675 -0.693 . . . . 10.0 111.539 179.845 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 35' ' ' VAL . . . . . . . . . . . . . 34.5 m -64.95 -29.85 48.61 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.109 0 CA-C-N 116.65 -0.25 . . . . 10.0 111.494 -179.235 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 24.3 t -69.6 -46.61 75.0 Favored 'Isoleucine or valine' 0 C--O 1.234 0.261 0 N-CA-C 109.709 -0.478 . . . . 10.0 109.709 179.02 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 37' ' ' VAL . . . . . 0.459 HG23 ' O ' ' B' ' 33' ' ' LEU . 48.6 t -65.09 -35.12 74.69 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.161 0 N-CA-C 109.087 -0.709 . . . . 10.0 109.087 178.336 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 56.3 t30 -62.61 -40.68 97.74 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.721 -0.672 . . . . 10.0 109.726 178.699 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 39' ' ' GLU . . . . . 0.516 ' O ' ' HG3' ' B' ' 43' ' ' GLU . 79.7 mt-10 -61.13 -47.39 86.46 Favored 'General case' 0 CA--C 1.52 -0.183 0 CA-C-N 116.026 -0.534 . . . . 10.0 109.76 178.694 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 7.9 mmm180 -64.1 -42.85 96.75 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.894 -0.594 . . . . 10.0 110.191 179.487 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 41' ' ' ARG . . . . . 0.418 HH21 ' CD ' ' C' ' 27' ' ' GLU . 82.8 mtt180 -60.34 -39.85 88.58 Favored 'General case' 0 CA--C 1.521 -0.144 0 CA-C-N 116.119 -0.492 . . . . 10.0 110.271 179.542 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 7.0 tp10 -60.08 -50.93 71.77 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.886 -0.597 . . . . 10.0 109.957 178.851 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 43' ' ' GLU . . . . . 0.516 ' HG3' ' O ' ' B' ' 39' ' ' GLU . 59.0 mt-10 -64.93 -38.45 91.02 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.044 -0.526 . . . . 10.0 110.54 -179.874 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 2.5 tp10 -62.91 -34.62 77.83 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.931 -0.577 . . . . 10.0 111.793 -179.563 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 45' ' ' SER . . . . . . . . . . . . . 3.2 p -92.48 -26.14 18.1 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 112.131 0.419 . . . . 10.0 112.131 -178.76 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.327 -0.373 0 CA-C-O 120.637 0.256 . . . . 10.0 111.359 179.946 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' C' C ' 3' ' ' GLU . . . . . . . . . . . . . 2.7 mp0 . . . . . 0 CA--C 1.528 0.112 0 CA-C-O 120.985 0.421 . . . . 10.0 111.625 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' C' C ' 4' ' ' ALA . . . . . . . . . . . . . . . -81.2 12.28 3.61 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 112.639 0.607 . . . . 10.0 112.639 -178.895 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 5' ' ' LEU . . . . . 0.456 HD13 ' SG ' ' B' ' 21' ' ' CYS . 78.2 mt -124.97 -22.64 4.42 Favored 'General case' 0 C--N 1.328 -0.363 0 C-N-CA 121.055 -0.258 . . . . 10.0 111.517 -179.404 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 6' ' ' LYS . . . . . . . . . . . . . 20.3 tptm -59.1 -48.14 82.68 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 111.789 0.292 . . . . 10.0 111.789 -178.91 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 7' ' ' ILE . . . . . 0.481 HD13 ' H ' ' C' ' 7' ' ' ILE . 0.3 OUTLIER -68.74 -16.36 20.82 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 116.402 -0.363 . . . . 10.0 111.832 -179.523 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' C' C ' 8' ' ' LEU . . . . . . . . . . . . . 3.1 mp -83.74 -17.5 41.01 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.988 0.423 . . . . 10.0 111.361 -179.514 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 9' ' ' ASN . . . . . . . . . . . . . 8.0 t-20 -85.5 -7.59 58.81 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.184 -0.462 . . . . 10.0 111.67 -178.525 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 10' ' ' ASN . . . . . 0.489 ' HB2' ' OG1' ' C' ' 13' ' ' THR . 22.1 m120 -103.73 119.86 39.77 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 109.817 -0.438 . . . . 10.0 109.817 179.399 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 11' ' ' ILE . . . . . . . . . . . . . 12.2 tt -62.27 -27.22 42.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.673 0.273 . . . . 10.0 111.168 -179.213 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 12' ' ' ARG . . . . . . . . . . . . . 38.4 mmt180 -63.57 -53.56 49.78 Favored 'General case' 0 C--O 1.234 0.275 0 CA-C-N 116.588 -0.278 . . . . 10.0 110.542 179.689 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 13' ' ' THR . . . . . 0.489 ' OG1' ' HB2' ' C' ' 10' ' ' ASN . 0.7 OUTLIER -72.28 -37.47 69.03 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.345 -0.389 . . . . 10.0 111.092 179.901 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' C' C ' 14' ' ' LEU . . . . . . . . . . . . . 16.9 tp -59.83 -47.79 84.31 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.03 -0.532 . . . . 10.0 110.863 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 15' ' ' ARG . . . . . 0.416 HH11 ' HD2' ' C' ' 15' ' ' ARG . 36.6 ttm105 -68.46 -23.4 64.59 Favored 'General case' 0 CA--C 1.533 0.297 0 CA-C-O 121.08 0.467 . . . . 10.0 110.787 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 16' ' ' ALA . . . . . . . . . . . . . . . -80.04 -51.3 9.2 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.312 -0.404 . . . . 10.0 110.718 -179.874 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 17' ' ' GLN . . . . . . . . . . . . . 13.3 mt-30 -73.5 -9.89 59.15 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.29 -0.414 . . . . 10.0 111.701 -179.081 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 18' ' ' ALA . . . . . . . . . . . . . . . -74.58 -6.37 48.18 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.004 0.43 . . . . 10.0 110.532 178.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.64 -1.88 57.86 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.004 -0.543 . . . . 10.0 110.243 179.704 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 20' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -72.01 -29.82 64.59 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.85 -0.614 . . . . 10.0 110.787 -179.568 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 21' ' ' CYS . . . . . . . . . . . . . 72.9 m -135.1 160.15 39.27 Favored 'General case' 0 CA--C 1.51 -0.558 0 CA-C-O 121.572 0.701 . . . . 0.0 110.959 -179.806 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 22' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -78.04 168.84 19.26 Favored 'General case' 0 C--O 1.235 0.331 0 CA-C-N 115.445 -0.798 . . . . 10.0 111.079 179.144 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 23.7 tp -57.07 -27.88 62.09 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-N 116.334 -0.394 . . . . 10.0 111.319 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 24' ' ' GLU . . . . . . . . . . . . . 7.5 tp10 -52.86 -62.95 1.32 Allowed 'General case' 0 N--CA 1.463 0.187 0 CA-C-N 116.027 -0.533 . . . . 10.0 110.83 179.726 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 25' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -66.4 -35.89 81.47 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.317 -0.401 . . . . 10.0 111.236 -179.696 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 26' ' ' LEU . . . . . . . . . . . . . 34.8 mt -61.44 -42.3 98.54 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.106 -0.497 . . . . 10.0 111.264 -179.87 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 27' ' ' GLU . . . . . 0.418 ' CD ' HH21 ' B' ' 41' ' ' ARG . 12.1 tt0 -69.13 -46.85 66.61 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.497 -0.319 . . . . 10.0 111.447 -179.246 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 28' ' ' GLU . . . . . 0.431 ' O ' ' HG3' ' C' ' 32' ' ' LYS . 32.5 tt0 -59.08 -37.34 76.86 Favored 'General case' 0 N--CA 1.464 0.254 0 O-C-N 123.055 0.222 . . . . 10.0 111.096 -179.062 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 29' ' ' MET . . . . . . . . . . . . . 19.2 ptp -81.34 -29.53 34.09 Favored 'General case' 0 C--N 1.331 -0.236 0 C-N-CA 120.85 -0.34 . . . . 10.0 111.086 179.641 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 30' ' ' LEU . . . . . . . . . . . . . 11.0 tp -64.1 -47.06 81.49 Favored 'General case' 0 C--O 1.235 0.31 0 CA-C-O 120.952 0.406 . . . . 10.0 110.452 179.631 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 31' ' ' GLU . . . . . 0.468 ' HA ' ' OE2' ' C' ' 34' ' ' GLU . 38.3 mt-10 -64.13 -22.19 66.84 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.448 -0.796 . . . . 10.0 111.062 -179.626 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 32' ' ' LYS . . . . . 0.431 ' HG3' ' O ' ' C' ' 28' ' ' GLU . 93.3 mttt -82.06 -28.68 32.29 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.112 0.482 . . . . 10.0 110.744 179.188 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 33' ' ' LEU . . . . . . . . . . . . . 22.9 tp -77.83 -43.67 29.7 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 116.225 -0.443 . . . . 10.0 112.155 -178.653 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 34' ' ' GLU . . . . . 0.468 ' OE2' ' HA ' ' C' ' 31' ' ' GLU . 13.2 pt-20 -58.93 -35.11 72.55 Favored 'General case' 0 C--N 1.33 -0.26 0 N-CA-C 112.335 0.494 . . . . 10.0 112.335 -178.303 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 35' ' ' VAL . . . . . . . . . . . . . 27.7 m -72.52 -32.08 40.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 C-N-CA 120.464 -0.494 . . . . 10.0 110.835 179.556 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 36' ' ' VAL . . . . . . . . . . . . . 42.0 t -66.96 -44.22 88.73 Favored 'Isoleucine or valine' 0 C--O 1.235 0.291 0 CA-C-O 121.103 0.477 . . . . 10.0 110.229 179.533 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 37' ' ' VAL . . . . . . . . . . . . . 59.0 t -59.92 -37.28 71.46 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 115.734 -0.666 . . . . 10.0 109.909 179.128 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 38' ' ' ASN . . . . . 0.457 ' O ' ' HG3' ' C' ' 42' ' ' GLU . 2.4 t30 -63.14 -40.14 96.72 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.025 -0.534 . . . . 10.0 110.858 179.628 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 39' ' ' GLU . . . . . 0.53 ' O ' ' HG3' ' C' ' 43' ' ' GLU . 2.9 mt-10 -61.99 -43.77 98.14 Favored 'General case' 0 CA--C 1.521 -0.156 0 N-CA-C 109.335 -0.617 . . . . 10.0 109.335 178.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 40' ' ' ARG . . . . . 0.596 ' HD2' ' OE1' ' C' ' 43' ' ' GLU . 8.3 mmm180 -63.94 -34.37 77.82 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.682 -0.69 . . . . 10.0 109.612 178.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 41' ' ' ARG . . . . . 0.612 ' HD2' HD21 ' B' ' 23' ' ' LEU . 11.3 mmm180 -62.83 -46.49 87.71 Favored 'General case' 0 C--N 1.332 -0.167 0 N-CA-C 109.269 -0.641 . . . . 10.0 109.269 178.268 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 42' ' ' GLU . . . . . 0.457 ' HG3' ' O ' ' C' ' 38' ' ' ASN . 44.4 mt-10 -58.95 -36.05 74.17 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.549 -0.75 . . . . 10.0 111.05 -179.867 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 43' ' ' GLU . . . . . 0.596 ' OE1' ' HD2' ' C' ' 40' ' ' ARG . 46.2 mt-10 -72.01 -47.01 54.98 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.78 0.324 . . . . 10.0 110.749 179.914 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 44' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.326 -0.423 0 CA-C-N 116.078 -0.51 . . . . 10.0 111.082 -179.58 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 5.0 mp . . . . . 0 N--CA 1.481 1.092 0 N-CA-C 109.807 -0.442 . . . . 10.0 109.807 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -72.95 147.57 45.11 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 120.658 0.266 . . . . 10.0 111.529 -179.507 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . 0.444 ' HD2' ' HB2' ' A' ' 45' ' ' SER . 29.2 pttt -64.46 -27.62 69.11 Favored 'General case' 0 CA--C 1.531 0.226 0 CA-C-O 121.046 0.45 . . . . 10.0 110.488 179.528 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -67.82 -29.45 68.61 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.829 -0.623 . . . . 10.0 111.291 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -63.98 -52.21 60.66 Favored 'General case' 0 CA--C 1.52 -0.2 0 CA-C-O 121.121 0.486 . . . . 10.0 109.864 179.878 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . 0.422 ' HB2' ' CB ' ' A' ' 46' ' ' ALA . 6.8 m-85 -63.11 -39.47 94.77 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.612 -0.722 . . . . 10.0 109.908 179.852 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 40.9 tp -57.82 -46.49 84.62 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.766 -0.652 . . . . 10.0 110.88 179.768 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 38.8 mmm -65.52 -38.34 89.38 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.214 -0.448 . . . . 10.0 111.133 -179.751 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.27 -35.92 81.65 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.277 -0.42 . . . . 10.0 110.285 179.316 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.403 ' HG ' ' O ' ' A' ' 11' ' ' TYR . 92.6 mt -80.32 -9.46 59.74 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.018 -0.537 . . . . 10.0 111.429 -179.661 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -72.4 -12.56 61.16 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.449 -0.341 . . . . 10.0 110.549 179.661 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 84.3 mtm-85 -86.58 -7.03 58.7 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.297 -0.411 . . . . 10.0 111.219 -179.866 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 3.9 m -102.71 135.03 45.1 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.421 -0.354 . . . . 10.0 110.43 -179.825 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . 0.426 ' HA ' HD11 ' A' ' 54' ' ' LEU . 1.2 mm-40 -131.24 178.46 6.68 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.352 -0.385 . . . . 10.0 110.529 -179.909 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . 0.424 ' C ' ' H ' ' A' ' 22' ' ' ASP . 2.1 m 68.31 -5.15 0.95 Allowed 'General case' 0 CA--C 1.539 0.523 0 CA-C-N 115.597 -0.728 . . . . 10.0 112.35 179.299 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.415 HD11 ' HA ' ' A' ' 55' ' ' THR . 68.1 mt 73.29 -37.34 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.47 0.544 0 C-N-CA 123.308 0.643 . . . . 10.0 111.267 -179.578 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . 0.424 ' H ' ' C ' ' A' ' 20' ' ' THR . 7.5 t70 -49.13 -50.98 34.88 Favored 'General case' 0 N--CA 1.465 0.29 0 C-N-CA 123.438 0.695 . . . . 10.0 111.648 179.332 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 2.2 m -67.54 -34.41 77.03 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.027 -0.533 . . . . 10.0 111.45 -179.884 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.51 ' O ' HG12 ' A' ' 27' ' ' VAL . 31.3 tp -69.5 -42.77 74.29 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.296 -0.411 . . . . 10.0 111.062 -179.344 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 7.8 tp10 -56.27 -47.78 77.91 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.181 0.515 . . . . 10.0 110.788 179.819 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 2.9 mtm105 -75.21 -28.96 60.16 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.148 -0.478 . . . . 10.0 111.838 -179.18 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.51 HG12 ' O ' ' A' ' 24' ' ' LEU . 0.7 OUTLIER -71.74 -38.22 65.33 Favored 'Isoleucine or valine' 0 C--O 1.234 0.262 0 C-N-CA 120.879 -0.328 . . . . 10.0 111.084 -179.196 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.427 HG12 ' O ' ' A' ' 24' ' ' LEU . 45.7 pt -79.1 -28.81 13.7 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.191 0 CA-C-O 120.849 0.357 . . . . 10.0 110.148 179.504 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 13.0 tp10 -70.82 -43.46 68.56 Favored 'General case' 0 N--CA 1.452 -0.346 0 CA-C-N 115.917 -0.583 . . . . 10.0 109.97 179.526 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 27.2 mttp -64.26 -39.73 94.55 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.988 -0.551 . . . . 10.0 110.879 179.425 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 9.9 m120 -75.15 -21.64 58.66 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.356 -0.384 . . . . 10.0 110.938 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 32.8 ttmt -59.35 -33.5 71.23 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.392 -0.367 . . . . 10.0 111.306 -179.623 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 3.8 m-85 -94.76 8.54 42.2 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.777 0.323 . . . . 10.0 110.744 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 59.7 mt-10 -116.27 -24.76 7.81 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.94 0.4 . . . . 10.0 111.052 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 14.7 mt -68.61 155.3 40.27 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.871 -0.604 . . . . 10.0 110.61 179.83 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . 0.547 ' HB2' ' OD1' ' A' ' 38' ' ' ASN . 0.7 OUTLIER -101.13 15.7 27.87 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 115.952 -0.567 . . . . 10.0 110.531 -178.834 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . 0.468 ' HB2' ' O ' ' A' ' 36' ' ' SER . 98.5 m-20 76.54 -38.96 0.34 Allowed 'General case' 0 C--O 1.257 1.459 0 C-N-CA 124.546 1.138 . . . . 0.0 111.0 177.922 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . 0.547 ' OD1' ' HB2' ' A' ' 36' ' ' SER . 23.5 p-10 -65.53 -33.66 76.44 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 121.027 -1.046 . . . . 10.0 111.68 -179.007 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -93.13 -18.47 22.55 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 109.34 -0.615 . . . . 10.0 109.34 178.743 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 47.0 tp -63.52 -32.4 73.84 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.387 -0.824 . . . . 10.0 110.323 179.771 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -58.06 -44.89 87.73 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 115.767 -0.652 . . . . 10.0 111.515 -179.922 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 31.6 m -87.66 -14.68 9.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.624 0.25 . . . . 10.0 111.143 -179.922 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 59.7 t80 -68.74 -30.63 69.29 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 109.582 -0.525 . . . . 10.0 109.582 178.916 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 11.8 m-85 -62.2 -37.83 86.83 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.711 -0.677 . . . . 10.0 110.711 179.224 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . 0.474 ' O ' ' HB2' ' A' ' 49' ' ' HIS . 0.0 OUTLIER -64.82 -14.18 58.36 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.074 -0.512 . . . . 10.0 111.224 -179.848 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.422 ' CB ' ' HB2' ' A' ' 11' ' ' TYR . . . -103.6 -44.36 5.12 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 109.765 -0.458 . . . . 10.0 109.765 178.893 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -62.72 -55.69 24.36 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.847 -0.615 . . . . 10.0 110.958 179.814 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . 0.404 ' HB3' ' CH2' ' A' ' 68' ' ' TRP . 0.8 OUTLIER -60.24 -44.98 94.76 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 121.063 0.459 . . . . 10.0 110.129 179.69 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' HIS . . . . . 0.474 ' HB2' ' O ' ' A' ' 45' ' ' SER . 3.5 t60 -57.73 -47.66 81.81 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.905 -0.589 . . . . 10.0 110.882 -179.751 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 31.6 tpt180 -68.93 -40.55 78.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.329 -0.396 . . . . 10.0 110.733 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 22.4 tp -60.25 -41.8 93.98 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.8 0.333 . . . . 10.0 110.811 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . 0.478 ' HA ' HD11 ' A' ' 71' ' ' ILE . . . -61.07 -53.11 61.22 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.197 -0.456 . . . . 10.0 111.705 -179.766 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 20.9 pt-20 -67.95 -31.24 70.84 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.242 -0.435 . . . . 10.0 110.874 -179.315 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.426 HD11 ' HA ' ' A' ' 19' ' ' GLN . 16.6 tp -69.86 -38.32 76.38 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.063 -0.517 . . . . 10.0 111.038 -179.754 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . 0.415 ' HA ' HD11 ' A' ' 21' ' ' ILE . 48.1 m -65.67 -39.52 91.41 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.064 0.459 . . . . 10.0 110.419 179.708 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 60.9 mmm -83.59 -7.11 59.58 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.124 -0.489 . . . . 10.0 110.32 179.51 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 33.9 t30 58.4 30.36 19.52 Favored 'General case' 0 N--CA 1.461 0.121 0 CA-C-N 115.42 -0.809 . . . . 10.0 110.228 -179.616 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -142.89 123.29 13.9 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.44 -0.8 . . . . 10.0 110.046 -179.216 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 8.5 mp -70.56 133.48 46.79 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.494 -0.321 . . . . 10.0 110.554 -179.803 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 40.3 m-85 -139.09 127.35 22.69 Favored 'General case' 0 C--O 1.238 0.474 0 CA-C-O 120.906 0.384 . . . . 10.0 110.552 -179.741 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 19.2 p-10 -65.69 -42.06 91.68 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.138 -0.483 . . . . 10.0 109.971 179.608 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 38.0 mttp -114.92 113.91 24.79 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 109.154 -0.684 . . . . 10.0 109.154 178.276 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.423 ' HA ' ' HD3' ' A' ' 64' ' ' PRO . 45.6 mm -76.96 131.71 72.6 Favored Pre-proline 0 C--N 1.319 -0.732 0 CA-C-N 115.855 -0.611 . . . . 10.0 111.678 -178.492 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . 0.423 ' HD3' ' HA ' ' A' ' 63' ' ' ILE . 10.4 Cg_exo -70.55 137.76 33.84 Favored 'Trans proline' 0 C--N 1.349 0.599 0 C-N-CA 122.552 2.168 . . . . 10.0 111.347 178.44 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -71.36 6.77 1.59 Allowed 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 112.961 0.726 . . . . 10.0 112.961 -178.132 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 88.6 p -117.88 -7.12 10.97 Favored 'General case' 0 C--O 1.245 0.855 0 O-C-N 121.689 -0.632 . . . . 0.0 110.987 -179.865 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 5.1 p -73.93 -20.68 17.82 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.776 0 CA-C-O 121.053 0.454 . . . . 10.0 111.532 -178.05 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' TRP . . . . . 0.688 ' HB2' HG21 ' C' ' 35' ' ' VAL . 63.0 m95 -65.67 -17.09 64.35 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.003 -0.544 . . . . 10.0 111.397 -179.278 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 2.2 tppp? -73.27 -18.16 61.25 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.011 0.434 . . . . 10.0 110.722 179.534 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 81.1 m-85 -99.95 9.72 42.47 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.467 -0.333 . . . . 10.0 111.133 -179.41 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . 0.478 HD11 ' HA ' ' A' ' 52' ' ' ALA . 13.2 mt -122.47 138.49 52.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-O 120.577 0.227 . . . . 10.0 110.958 -179.024 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 19.8 mtp85 . . . . . 0 C--O 1.249 1.031 0 CA-C-O 118.511 -0.756 . . . . 10.0 110.135 179.865 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' B' B ' 3' ' ' GLU . . . . . 0.419 ' O ' ' HB3' ' B' ' 6' ' ' LYS . 0.1 OUTLIER . . . . . 0 N--CA 1.456 -0.13 0 CA-C-O 120.855 0.36 . . . . 10.0 110.956 . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . -62.58 -36.95 84.33 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.01 0.433 . . . . 10.0 111.289 -179.92 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 8.6 mp -74.66 -12.01 60.33 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.084 -0.507 . . . . 10.0 111.338 -179.411 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 6' ' ' LYS . . . . . 0.419 ' HB3' ' O ' ' B' ' 3' ' ' GLU . 27.7 ttpt -68.4 -42.02 79.63 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.963 0.411 . . . . 10.0 110.79 179.879 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 7' ' ' ILE . . . . . . . . . . . . . 22.1 pt -89.98 -7.58 10.78 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 CA-C-N 116.262 -0.426 . . . . 10.0 111.53 -179.062 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 9.8 tp -84.83 -5.15 59.33 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.27 0.557 . . . . 10.0 110.148 -179.908 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 9' ' ' ASN . . . . . . . . . . . . . 53.5 t30 -95.13 -6.54 41.62 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.836 -0.62 . . . . 10.0 111.372 -179.331 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 10' ' ' ASN . . . . . . . . . . . . . 23.0 t-20 -126.93 121.16 30.97 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.979 0.419 . . . . 10.0 111.09 -179.427 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 3.4 pt -63.52 -37.55 79.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 N-CA-C 113.057 0.762 . . . . 10.0 113.057 -178.56 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 12' ' ' ARG . . . . . . . . . . . . . 17.6 mtt180 -62.5 -44.29 96.73 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 112.123 0.416 . . . . 10.0 112.123 -178.035 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 13' ' ' THR . . . . . . . . . . . . . 22.8 m -76.35 -39.61 53.43 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 120.95 0.405 . . . . 10.0 110.822 179.875 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 31.6 tp -63.04 -36.78 84.69 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.92 -0.582 . . . . 10.0 110.919 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 40.6 mtt180 -53.48 -47.58 69.68 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.1 -0.5 . . . . 10.0 111.313 179.904 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 16' ' ' ALA . . . . . . . . . . . . . . . -59.81 -43.25 94.57 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.064 -0.516 . . . . 10.0 112.228 -178.794 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 17' ' ' GLN . . . . . . . . . . . . . 1.3 mp0 -72.04 -25.11 61.66 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 116.413 -0.358 . . . . 10.0 111.351 -179.317 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -79.46 -7.92 58.76 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.464 -0.334 . . . . 10.0 111.259 179.791 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 15.4 mmm180 -79.73 -11.54 59.84 Favored 'General case' 0 C--N 1.327 -0.383 0 C-N-CA 121.085 -0.246 . . . . 10.0 111.011 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 1.5 pt-20 -94.05 -2.48 52.84 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-O 120.935 0.397 . . . . 10.0 111.143 -179.709 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 21' ' ' CYS . . . . . 1.66 ' SG ' ' HB ' ' B' ' 25' ' ' THR . 53.8 t -117.31 147.09 42.9 Favored 'General case' 0 CA--C 1.51 -0.563 0 CA-C-O 120.764 0.316 . . . . 0.0 111.008 178.592 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -81.5 171.08 15.12 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.406 -0.361 . . . . 10.0 110.306 179.09 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 31.5 tp -55.51 -44.45 76.63 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.372 -0.376 . . . . 10.0 111.552 -179.76 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -59.84 -48.58 81.12 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.818 0.342 . . . . 10.0 111.74 -179.86 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 25' ' ' THR . . . . . 1.66 ' HB ' ' SG ' ' B' ' 21' ' ' CYS . 0.2 OUTLIER -61.64 -42.69 99.25 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 121.009 0.433 . . . . 10.0 111.543 -179.542 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 26' ' ' LEU . . . . . 0.433 ' O ' ' HG3' ' B' ' 29' ' ' MET . 86.5 mt -65.43 -44.4 87.45 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.091 -0.504 . . . . 10.0 111.009 -179.678 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 27' ' ' GLU . . . . . 0.58 ' O ' ' HG3' ' B' ' 31' ' ' GLU . 6.7 mt-10 -64.56 -44.31 91.15 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.373 -0.376 . . . . 10.0 111.097 179.794 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 5.7 tt0 -56.99 -48.42 78.49 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.275 -0.421 . . . . 10.0 111.699 -178.928 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 29' ' ' MET . . . . . 0.433 ' HG3' ' O ' ' B' ' 26' ' ' LEU . 2.2 ppp? -72.97 -30.7 64.03 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.561 -0.29 . . . . 10.0 111.351 -179.231 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 66.3 tp -62.08 -45.32 94.04 Favored 'General case' 0 C--O 1.234 0.251 0 CA-C-O 120.948 0.404 . . . . 10.0 110.447 179.649 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 31' ' ' GLU . . . . . 0.58 ' HG3' ' O ' ' B' ' 27' ' ' GLU . 24.7 mt-10 -66.55 -32.13 73.29 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.877 -0.602 . . . . 10.0 110.721 -179.74 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 32' ' ' LYS . . . . . 0.566 ' O ' HG22 ' B' ' 35' ' ' VAL . 48.7 mttt -70.92 -37.22 72.9 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.903 0.382 . . . . 10.0 110.758 179.436 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 33' ' ' LEU . . . . . 0.416 ' O ' HG23 ' B' ' 37' ' ' VAL . 48.5 tp -71.77 -38.55 70.33 Favored 'General case' 0 C--N 1.322 -0.591 0 C-N-CA 120.89 -0.324 . . . . 10.0 110.807 179.809 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 34' ' ' GLU . . . . . 0.545 ' HG3' ' N ' ' B' ' 35' ' ' VAL . 0.1 OUTLIER -63.79 -35.26 80.02 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.403 -0.362 . . . . 10.0 111.463 -178.891 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 35' ' ' VAL . . . . . 0.577 HG13 ' O ' ' B' ' 31' ' ' GLU . 13.6 m -69.08 -34.16 62.27 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.175 0 C-N-CA 120.339 -0.544 . . . . 10.0 110.368 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 96.0 t -68.56 -42.08 83.34 Favored 'Isoleucine or valine' 0 C--O 1.232 0.149 0 N-CA-C 109.626 -0.509 . . . . 10.0 109.626 178.835 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 37' ' ' VAL . . . . . 0.416 HG23 ' O ' ' B' ' 33' ' ' LEU . 71.4 t -63.98 -36.93 78.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 N-CA-C 108.891 -0.781 . . . . 10.0 108.891 178.221 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -66.13 -37.48 85.81 Favored 'General case' 0 C--O 1.236 0.346 0 CA-C-N 115.445 -0.798 . . . . 10.0 109.825 178.317 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 39' ' ' GLU . . . . . 0.42 ' HG3' ' O ' ' B' ' 35' ' ' VAL . 89.0 mt-10 -63.85 -47.3 81.29 Favored 'General case' 0 CA--C 1.521 -0.155 0 CA-C-N 115.98 -0.555 . . . . 10.0 109.863 179.026 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 40' ' ' ARG . . . . . 0.495 HH22 ' HA ' ' C' ' 22' ' ' THR . 36.5 mmm-85 -62.79 -42.61 99.78 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.886 -0.597 . . . . 10.0 110.135 178.765 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 41' ' ' ARG . . . . . . . . . . . . . 52.7 mtt180 -56.0 -41.92 75.6 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.197 -0.456 . . . . 10.0 110.256 179.135 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 8.4 tp10 -66.39 -41.22 89.67 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.787 -0.642 . . . . 10.0 110.794 -179.809 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 27.3 mt-10 -66.37 -47.28 73.89 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.283 -0.417 . . . . 10.0 111.189 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -68.22 -31.92 71.76 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 113.228 0.825 . . . . 10.0 113.228 -178.609 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 45' ' ' SER . . . . . . . . . . . . . 10.2 p -75.76 -38.71 58.14 Favored 'General case' 0 C--N 1.324 -0.503 0 C-N-CA 120.668 -0.413 . . . . 10.0 111.073 -179.599 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.435 0 CA-C-O 121.027 0.441 . . . . 10.0 111.342 -179.931 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' C' C ' 3' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.235 0.304 0 CA-C-O 121.043 0.449 . . . . 10.0 111.058 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 4' ' ' ALA . . . . . . . . . . . . . . . -61.98 -36.81 82.58 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.642 -0.708 . . . . 10.0 112.206 -179.171 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 5' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -74.01 -15.03 61.1 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.342 -0.39 . . . . 10.0 111.403 -179.265 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 6' ' ' LYS . . . . . . . . . . . . . 21.6 tptm -82.23 -49.57 9.94 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.712 0.292 . . . . 10.0 111.267 -179.267 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 7' ' ' ILE . . . . . . . . . . . . . 10.3 pt -65.24 -27.17 41.41 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 116.503 -0.317 . . . . 10.0 111.658 -179.236 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 8' ' ' LEU . . . . . . . . . . . . . 3.1 mp -78.81 -7.0 57.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.237 -0.438 . . . . 10.0 111.698 -179.433 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 9' ' ' ASN . . . . . . . . . . . . . 17.3 t-20 -88.38 -10.56 48.94 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.235 0.541 . . . . 10.0 110.272 179.911 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 10' ' ' ASN . . . . . 0.427 HD22 ' HA ' ' C' ' 10' ' ' ASN . 4.7 m120 -101.71 125.41 48.37 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.888 -0.596 . . . . 10.0 109.938 -179.711 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 11' ' ' ILE . . . . . . . . . . . . . 9.8 tp -61.35 -28.07 43.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-N 116.039 -0.528 . . . . 10.0 111.677 -179.174 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 12' ' ' ARG . . . . . . . . . . . . . 38.0 mmt180 -64.68 -55.27 21.1 Favored 'General case' 0 C--O 1.233 0.22 0 CA-C-O 120.725 0.298 . . . . 10.0 111.21 -179.915 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 13' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -70.96 -34.21 71.21 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.446 -0.343 . . . . 10.0 111.704 -179.543 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 14' ' ' LEU . . . . . . . . . . . . . 13.3 tp -58.36 -50.94 71.85 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.096 -0.502 . . . . 10.0 110.779 -179.63 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 15' ' ' ARG . . . . . 0.415 HH11 ' HD2' ' C' ' 15' ' ' ARG . 44.4 ttm180 -68.26 -24.78 64.93 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.886 -0.597 . . . . 10.0 110.715 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 16' ' ' ALA . . . . . . . . . . . . . . . -75.12 -45.74 39.07 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.322 -0.399 . . . . 10.0 111.467 -179.8 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 17' ' ' GLN . . . . . . . . . . . . . 34.5 mt-30 -72.42 -28.09 62.75 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.789 0.328 . . . . 10.0 111.036 -179.881 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 18' ' ' ALA . . . . . . . . . . . . . . . -70.48 -7.67 45.2 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.871 0.367 . . . . 10.0 111.562 -179.89 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 19' ' ' ARG . . . . . . . . . . . . . 48.6 ttm-85 -87.27 -10.82 51.39 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.967 0.413 . . . . 10.0 110.424 179.877 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 20' ' ' GLU . . . . . . . . . . . . . 84.8 mt-10 -78.64 -38.69 39.07 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.049 -0.523 . . . . 10.0 111.011 -179.646 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 21' ' ' CYS . . . . . . . . . . . . . 72.2 m -103.65 164.2 11.82 Favored 'General case' 0 CA--C 1.51 -0.562 0 CA-C-O 121.838 0.828 . . . . 0.0 111.04 -179.647 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 22' ' ' THR . . . . . 0.495 ' HA ' HH22 ' B' ' 40' ' ' ARG . 0.9 OUTLIER -90.05 170.39 10.38 Favored 'General case' 0 N--CA 1.446 -0.627 0 CA-C-N 115.055 -0.975 . . . . 10.0 110.541 179.175 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 49.5 tp -59.36 -30.39 68.36 Favored 'General case' 0 C--N 1.333 -0.125 0 N-CA-C 109.801 -0.444 . . . . 10.0 109.801 179.447 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 24' ' ' GLU . . . . . . . . . . . . . 4.3 tp10 -54.41 -56.17 21.34 Favored 'General case' 0 CA--C 1.532 0.283 0 CA-C-N 115.517 -0.765 . . . . 10.0 110.578 178.72 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 25' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -69.6 -39.32 77.31 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.289 -0.414 . . . . 10.0 111.379 -179.71 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 26' ' ' LEU . . . . . . . . . . . . . 98.8 mt -61.1 -43.04 99.5 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.14 -0.482 . . . . 10.0 111.524 -179.455 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 27' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -65.68 -44.28 86.71 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.516 -0.311 . . . . 10.0 111.669 -179.466 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 28' ' ' GLU . . . . . . . . . . . . . 19.8 tt0 -74.47 -8.88 57.77 Favored 'General case' 0 CA--C 1.536 0.431 0 N-CA-C 111.984 0.365 . . . . 10.0 111.984 -178.443 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 29' ' ' MET . . . . . . . . . . . . . 14.7 ptp -106.04 -27.01 11.4 Favored 'General case' 0 C--N 1.328 -0.337 0 O-C-N 121.863 -0.523 . . . . 10.0 110.273 178.591 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 30' ' ' LEU . . . . . . . . . . . . . 37.9 tp -63.05 -40.3 97.31 Favored 'General case' 0 C--O 1.234 0.239 0 CA-C-O 121.117 0.484 . . . . 10.0 109.869 179.01 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 31' ' ' GLU . . . . . 0.55 ' HA ' ' HG2' ' C' ' 34' ' ' GLU . 11.8 pt-20 -64.97 -29.8 70.75 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.437 -0.802 . . . . 10.0 111.163 -179.933 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 32' ' ' LYS . . . . . . . . . . . . . 22.3 mmtp -69.22 -34.01 74.19 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.05 -0.523 . . . . 10.0 110.504 -179.681 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 33' ' ' LEU . . . . . 0.419 ' O ' HG23 ' C' ' 37' ' ' VAL . 63.7 tp -83.1 -45.36 14.07 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 112.165 0.432 . . . . 10.0 112.165 -178.933 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 34' ' ' GLU . . . . . 0.55 ' HG2' ' HA ' ' C' ' 31' ' ' GLU . 7.7 pt-20 -60.01 -33.59 72.2 Favored 'General case' 0 C--O 1.234 0.257 0 C-N-CA 120.819 -0.352 . . . . 10.0 111.701 -178.54 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 35' ' ' VAL . . . . . 0.688 HG21 ' HB2' ' A' ' 68' ' ' TRP . 9.9 p -72.54 -40.09 62.54 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.459 0 C-N-CA 120.646 -0.422 . . . . 10.0 110.7 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 36' ' ' VAL . . . . . . . . . . . . . 40.8 t -61.97 -42.44 94.8 Favored 'Isoleucine or valine' 0 C--O 1.233 0.195 0 CA-C-O 120.962 0.411 . . . . 10.0 110.423 -179.83 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 37' ' ' VAL . . . . . 0.419 HG23 ' O ' ' C' ' 33' ' ' LEU . 46.2 t -64.01 -37.99 81.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 N-CA-C 109.654 -0.499 . . . . 10.0 109.654 179.121 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 38' ' ' ASN . . . . . 0.466 ' O ' ' HB2' ' C' ' 41' ' ' ARG . 1.7 m-20 -65.56 -32.2 73.66 Favored 'General case' 0 C--O 1.233 0.217 0 CA-C-N 115.708 -0.678 . . . . 10.0 110.516 179.356 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 39' ' ' GLU . . . . . 0.621 ' HG3' ' O ' ' C' ' 35' ' ' VAL . 34.9 mt-10 -67.61 -44.71 77.4 Favored 'General case' 0 C--O 1.234 0.275 0 N-CA-C 109.243 -0.651 . . . . 10.0 109.243 178.469 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 40' ' ' ARG . . . . . . . . . . . . . 8.7 mmm180 -64.04 -31.27 72.4 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.166 -0.925 . . . . 10.0 110.473 179.534 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 41' ' ' ARG . . . . . 0.466 ' HB2' ' O ' ' C' ' 38' ' ' ASN . 7.1 mmm180 -55.85 -55.22 35.15 Favored 'General case' 0 C--O 1.234 0.266 0 CA-C-N 115.685 -0.689 . . . . 10.0 110.466 178.925 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 42' ' ' GLU . . . . . . . . . . . . . 91.0 mt-10 -66.8 -38.86 87.33 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.429 -0.805 . . . . 10.0 111.215 -179.193 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 43' ' ' GLU . . . . . . . . . . . . . 28.7 mt-10 -59.17 -43.81 92.14 Favored 'General case' 0 N--CA 1.463 0.213 0 CA-C-O 121.037 0.446 . . . . 10.0 110.908 179.321 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 44' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.326 -0.414 0 CA-C-N 115.747 -0.66 . . . . 10.0 111.806 -179.048 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.481 1.119 0 CA-C-O 120.702 0.286 . . . . 10.0 110.313 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -88.59 152.88 21.55 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.441 -0.345 . . . . 10.0 110.338 179.891 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 15.9 tttt -61.13 -30.15 70.2 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.919 -0.582 . . . . 10.0 109.924 178.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -72.47 -33.56 67.09 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.694 -0.685 . . . . 10.0 111.596 179.521 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 65.3 m-20 -60.69 -53.45 57.24 Favored 'General case' 0 N--CA 1.465 0.278 0 CA-C-N 116.314 -0.403 . . . . 10.0 110.933 -178.807 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 24.7 m-85 -67.91 -33.69 75.19 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.14 -0.482 . . . . 10.0 110.33 -179.833 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 15.4 tp -60.08 -50.36 74.0 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.249 -0.432 . . . . 10.0 110.424 179.508 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -62.24 -38.77 90.51 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.986 0.422 . . . . 10.0 110.706 179.902 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.79 -40.59 95.74 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.87 -0.604 . . . . 10.0 110.766 179.625 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 84.6 mt -84.67 -12.9 52.97 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.205 -0.452 . . . . 10.0 111.512 -179.073 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . 0.537 ' HA ' ' NE ' ' A' ' 50' ' ' ARG . 42.5 mtt180 -77.89 -14.36 59.58 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.934 0.397 . . . . 10.0 110.789 179.781 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 93.9 mtm-85 -83.92 -8.27 59.22 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.366 0.603 . . . . 10.0 109.943 179.092 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 56.7 m -106.51 130.33 54.31 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.58 -0.736 . . . . 10.0 110.047 179.646 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 10.6 mm-40 -119.66 -159.52 0.78 Allowed 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.69 0.281 . . . . 10.0 110.418 -179.437 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . 0.423 ' O ' ' HB ' ' A' ' 21' ' ' ILE . 2.1 m 71.29 -11.12 0.72 Allowed 'General case' 0 N--CA 1.468 0.463 0 N-CA-C 113.146 0.795 . . . . 10.0 113.146 178.324 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.423 ' HB ' ' O ' ' A' ' 20' ' ' THR . 65.2 mt 72.26 -58.96 0.28 Allowed 'Isoleucine or valine' 0 N--CA 1.47 0.556 0 C-N-CA 122.713 0.405 . . . . 10.0 111.039 -179.824 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 17.9 t70 -56.95 -44.18 82.31 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.123 -0.49 . . . . 10.0 110.646 179.652 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 4.6 m -58.82 -38.98 79.87 Favored 'General case' 0 CA--C 1.532 0.278 0 CA-C-N 115.871 -0.604 . . . . 10.0 110.765 179.303 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.446 ' HA ' HG12 ' A' ' 27' ' ' VAL . 18.5 tp -66.22 -44.41 83.9 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.249 -0.432 . . . . 10.0 110.02 179.21 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . 0.434 ' O ' ' HB2' ' A' ' 29' ' ' GLU . 6.8 tp10 -60.27 -30.59 69.55 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.321 0.581 . . . . 10.0 110.874 179.635 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 79.1 mtp180 -82.71 -35.7 26.51 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.928 -0.578 . . . . 10.0 111.946 -179.168 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.446 HG12 ' HA ' ' A' ' 24' ' ' LEU . 7.2 p -73.46 -37.11 49.97 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 C-N-CA 120.643 -0.423 . . . . 10.0 110.979 -179.514 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.428 HG12 ' O ' ' A' ' 24' ' ' LEU . 44.5 pt -73.04 -30.04 30.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-O 121.049 0.452 . . . . 10.0 110.018 179.333 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . 0.434 ' HB2' ' O ' ' A' ' 25' ' ' GLU . 22.8 tp10 -62.69 -52.47 63.17 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.779 -0.646 . . . . 10.0 110.302 179.656 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 27.3 mttp -65.49 -39.76 92.3 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.042 -0.526 . . . . 10.0 110.899 179.6 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . 0.497 ' O ' ' HG ' ' A' ' 35' ' ' LEU . 2.2 t30 -58.63 -37.07 75.12 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.739 -0.664 . . . . 10.0 111.772 -179.053 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 41.2 mtmt -64.02 -29.43 70.58 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.694 -0.23 . . . . 10.0 111.6 -179.491 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 8.8 m-85 -79.9 -18.23 51.1 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.06 0.457 . . . . 10.0 110.794 -179.48 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 74.8 mt-10 -97.09 -28.52 14.09 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.893 -0.594 . . . . 10.0 112.562 -178.534 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.497 ' HG ' ' O ' ' A' ' 31' ' ' ASN . 90.0 mt -63.27 159.97 16.77 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.204 0.526 . . . . 10.0 112.073 -179.13 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . 0.521 ' O ' ' HB2' ' A' ' 37' ' ' ASP . 13.2 m -87.43 1.53 53.15 Favored 'General case' 0 N--CA 1.453 -0.314 0 CA-C-N 115.718 -0.674 . . . . 10.0 111.153 -179.407 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . 0.521 ' HB2' ' O ' ' A' ' 36' ' ' SER . 98.5 m-20 80.8 -26.95 0.14 Allowed 'General case' 0 C--O 1.254 1.325 0 C-N-CA 125.161 1.384 . . . . 0.0 111.041 177.339 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . 0.487 ' OD1' ' HB2' ' A' ' 36' ' ' SER . 4.1 p-10 -74.38 -22.85 58.99 Favored 'General case' 0 C--N 1.322 -0.589 0 O-C-N 121.061 -1.024 . . . . 10.0 111.597 -179.353 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -105.78 -2.7 22.88 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.108 0.48 . . . . 10.0 110.386 -179.942 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 46.3 tp -57.65 -33.36 68.22 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.419 -0.81 . . . . 10.0 111.21 -179.468 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -60.69 -40.59 92.77 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.118 0.485 . . . . 10.0 111.236 179.892 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 3.2 t -72.58 -42.03 63.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.079 -0.51 . . . . 10.0 110.16 -179.818 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 63.1 t80 -62.75 -43.77 97.94 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.492 -0.777 . . . . 10.0 110.685 179.777 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -60.77 -41.8 96.2 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.973 -0.558 . . . . 10.0 110.978 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 23.2 m -61.51 -42.06 98.24 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.983 -0.553 . . . . 10.0 111.465 -179.245 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -71.75 -43.38 65.9 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.243 -0.435 . . . . 10.0 110.922 -179.863 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -60.86 -43.81 97.87 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.203 -0.453 . . . . 10.0 111.235 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 13.7 t70 -59.66 -46.21 89.71 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.702 -0.681 . . . . 10.0 110.643 179.871 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 7.7 t60 -68.03 -35.94 79.1 Favored 'General case' 0 CA--C 1.532 0.282 0 CA-C-N 116.039 -0.528 . . . . 10.0 110.862 -179.762 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . 0.537 ' NE ' ' HA ' ' A' ' 16' ' ' ARG . 23.6 tpt180 -72.03 -41.13 67.86 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.415 -0.357 . . . . 10.0 111.337 -179.793 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 31.0 tp -60.86 -32.43 71.85 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.417 -0.356 . . . . 10.0 110.685 -179.743 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -60.89 -58.32 8.95 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.114 -0.494 . . . . 10.0 111.754 -179.836 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -67.02 -31.03 71.3 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.227 -0.442 . . . . 10.0 111.256 -179.009 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 9.2 tp -66.19 -43.82 85.72 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.31 -0.405 . . . . 10.0 110.492 -179.866 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 16.9 m -70.55 -32.75 70.3 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.986 0.422 . . . . 10.0 110.754 179.751 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 76.5 mmm -78.88 -5.87 54.69 Favored 'General case' 0 C--O 1.236 0.378 0 CA-C-N 115.965 -0.561 . . . . 10.0 111.703 -179.639 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 64.1 t30 59.37 36.54 23.36 Favored 'General case' 0 N--CA 1.463 0.21 0 CA-C-N 115.796 -0.638 . . . . 10.0 111.558 179.449 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 4.5 tppp? -164.54 130.31 2.85 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.328 -0.396 . . . . 10.0 109.971 179.613 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 8.9 mp -74.15 130.43 39.76 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-O 121.083 0.468 . . . . 10.0 111.261 -179.451 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 46.0 m-85 -131.5 132.04 43.91 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.85 -0.614 . . . . 10.0 109.638 179.716 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -64.99 -52.27 57.1 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 108.154 -1.054 . . . . 10.0 108.154 178.547 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 15.0 pttt -113.19 143.61 44.09 Favored 'General case' 0 C--N 1.32 -0.705 0 N-CA-C 107.98 -1.118 . . . . 10.0 107.98 177.85 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 35.8 mm -102.04 117.56 61.15 Favored Pre-proline 0 C--N 1.32 -0.678 0 C-N-CA 120.921 -0.312 . . . . 10.0 110.372 -179.092 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 34.8 Cg_exo -59.83 145.28 98.64 Favored 'Trans proline' 0 CA--C 1.53 0.316 0 C-N-CA 122.958 2.439 . . . . 10.0 112.803 179.555 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -50.12 -49.58 51.33 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 113.587 0.958 . . . . 10.0 113.587 -178.59 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 97.7 p -72.38 -9.23 58.25 Favored 'General case' 0 C--O 1.256 1.403 0 O-C-N 121.412 -0.805 . . . . 0.0 110.945 -177.152 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 38.8 t -82.48 -27.41 8.72 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.198 0 CA-C-N 119.355 0.98 . . . . 10.0 111.135 -178.486 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' TRP . . . . . 0.54 ' HB2' HG11 ' C' ' 35' ' ' VAL . 96.8 m95 -60.17 -20.88 60.58 Favored 'General case' 0 N--CA 1.465 0.292 0 CA-C-O 121.083 0.468 . . . . 10.0 110.85 179.819 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 5.6 tppp? -63.3 -27.28 69.22 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.731 -0.668 . . . . 10.0 111.541 179.884 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 36.5 m-85 -88.38 6.79 35.69 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.989 0.423 . . . . 10.0 111.618 -178.404 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . 0.413 HD13 ' HA ' ' A' ' 68' ' ' TRP . 1.8 mp -100.14 130.09 49.86 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 CA-C-N 116.273 -0.421 . . . . 10.0 109.934 179.725 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 64.7 mtp180 . . . . . 0 C--O 1.249 1.075 0 CA-C-O 118.773 -0.632 . . . . 10.0 110.406 -178.977 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.297 0 CA-C-O 120.81 0.338 . . . . 10.0 110.344 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . -72.27 -43.56 64.1 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.951 -0.568 . . . . 10.0 110.636 -179.923 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 5' ' ' LEU . . . . . 0.43 ' HG ' ' SD ' ' C' ' 29' ' ' MET . 10.3 mp -70.8 -10.96 60.62 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.715 -0.675 . . . . 10.0 110.756 -179.617 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 33.8 ttpt -74.09 -43.41 57.76 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 121.109 0.481 . . . . 10.0 110.753 179.816 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 7' ' ' ILE . . . . . . . . . . . . . 16.5 pt -91.46 -17.63 7.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 116.104 -0.498 . . . . 10.0 111.373 -179.271 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -74.53 -15.18 60.87 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.017 -0.538 . . . . 10.0 111.434 -179.815 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 9' ' ' ASN . . . . . . . . . . . . . 45.7 t30 -90.72 12.5 18.91 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 111.887 0.329 . . . . 10.0 111.887 -179.169 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 10' ' ' ASN . . . . . 0.412 ' OD1' ' HB2' ' B' ' 12' ' ' ARG . 12.3 t-20 -140.42 124.39 17.41 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.041 0.448 . . . . 10.0 110.326 179.284 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 51.4 mt -63.52 -36.54 76.72 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 CA-C-N 115.664 -0.698 . . . . 10.0 112.464 -179.065 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 12' ' ' ARG . . . . . 0.412 ' HB2' ' OD1' ' B' ' 10' ' ' ASN . 93.6 mtt180 -59.32 -51.64 69.08 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 111.812 0.301 . . . . 10.0 111.812 -178.878 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 13' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -68.04 -41.31 82.26 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.944 0.402 . . . . 10.0 110.597 179.408 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 12.3 tp -57.39 -43.61 83.79 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.765 -0.652 . . . . 10.0 111.163 -179.338 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 15' ' ' ARG . . . . . 0.474 ' O ' ' HG2' ' B' ' 19' ' ' ARG . 37.4 mtt85 -59.53 -36.11 75.51 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.366 -0.379 . . . . 10.0 111.09 179.674 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 16' ' ' ALA . . . . . . . . . . . . . . . -76.04 -47.61 24.09 Favored 'General case' 0 C--N 1.331 -0.235 0 N-CA-C 112.315 0.487 . . . . 10.0 112.315 -178.839 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 17' ' ' GLN . . . . . . . . . . . . . 1.6 mp0 -68.11 -27.6 66.6 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.774 0.321 . . . . 10.0 111.311 -179.183 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -73.05 -7.96 53.58 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.494 -0.321 . . . . 10.0 111.485 179.551 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 19' ' ' ARG . . . . . 0.474 ' HG2' ' O ' ' B' ' 15' ' ' ARG . 24.6 mmm180 -75.93 -19.07 59.07 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.487 -0.324 . . . . 10.0 110.781 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 1.8 pt-20 -81.19 -9.74 59.74 Favored 'General case' 0 C--N 1.331 -0.234 0 C-N-CA 120.665 -0.414 . . . . 10.0 110.955 -179.617 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 21' ' ' CYS . . . . . 0.665 ' SG ' HD21 ' B' ' 26' ' ' LEU . 32.0 p -117.44 168.07 10.71 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-O 121.145 0.498 . . . . 0.0 111.012 179.163 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 13.5 p -98.4 176.37 5.71 Favored 'General case' 0 C--O 1.236 0.379 0 CA-C-N 115.839 -0.619 . . . . 10.0 110.622 179.303 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 23' ' ' LEU . . . . . 0.424 HD13 ' HB3' ' C' ' 40' ' ' ARG . 39.5 tp -60.13 -39.54 86.64 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 121.026 0.441 . . . . 10.0 109.818 179.455 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 24' ' ' GLU . . . . . 0.42 ' O ' ' HB2' ' B' ' 28' ' ' GLU . 41.8 tt0 -60.88 -45.79 93.17 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.576 -0.738 . . . . 10.0 111.092 179.824 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 25' ' ' THR . . . . . 0.458 ' HB ' ' HB2' ' B' ' 21' ' ' CYS . 0.2 OUTLIER -63.82 -39.38 94.1 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.774 0.321 . . . . 10.0 110.404 179.499 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 26' ' ' LEU . . . . . 0.665 HD21 ' SG ' ' B' ' 21' ' ' CYS . 46.1 mt -64.62 -47.98 76.57 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.153 -0.476 . . . . 10.0 110.348 179.691 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 27' ' ' GLU . . . . . 0.546 ' OE2' ' HD3' ' C' ' 41' ' ' ARG . 11.2 mt-10 -63.78 -38.69 92.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.912 0.386 . . . . 10.0 110.164 179.085 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 28' ' ' GLU . . . . . 0.469 ' O ' ' HG3' ' B' ' 32' ' ' LYS . 0.0 OUTLIER -59.52 -48.37 81.93 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.742 -0.663 . . . . 10.0 111.295 -179.927 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 29' ' ' MET . . . . . 0.497 ' HG3' ' O ' ' B' ' 26' ' ' LEU . 3.4 ppp? -75.69 -28.16 58.53 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 111.94 0.348 . . . . 10.0 111.94 -178.925 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 55.0 tp -60.34 -45.6 92.87 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.731 0.301 . . . . 10.0 110.627 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 31' ' ' GLU . . . . . 0.462 ' HG3' ' O ' ' B' ' 27' ' ' GLU . 19.5 mt-10 -64.26 -35.84 82.15 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.211 -0.449 . . . . 10.0 110.681 -179.669 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 32' ' ' LYS . . . . . 0.479 ' O ' HG23 ' B' ' 36' ' ' VAL . 54.1 mttm -65.96 -45.13 82.86 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.06 -0.518 . . . . 10.0 111.052 -179.691 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 33' ' ' LEU . . . . . 0.497 ' O ' HG23 ' B' ' 37' ' ' VAL . 20.7 tp -71.4 -36.1 71.26 Favored 'General case' 0 C--N 1.322 -0.596 0 C-N-CA 120.565 -0.454 . . . . 10.0 110.11 179.665 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -57.94 -50.55 72.99 Favored 'General case' 0 C--O 1.234 0.241 0 CA-C-N 116.038 -0.528 . . . . 10.0 110.917 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 35' ' ' VAL . . . . . . . . . . . . . 35.2 m -62.8 -35.04 69.14 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.23 0 C-N-CA 121.103 -0.239 . . . . 10.0 111.126 -179.892 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 36' ' ' VAL . . . . . 0.479 HG23 ' O ' ' B' ' 32' ' ' LYS . 71.2 t -67.1 -42.82 88.78 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-O 120.854 0.359 . . . . 10.0 110.177 179.443 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 37' ' ' VAL . . . . . 0.497 HG23 ' O ' ' B' ' 33' ' ' LEU . 88.5 t -64.31 -40.56 89.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 N-CA-C 109.671 -0.492 . . . . 10.0 109.671 178.918 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 64.1 t30 -63.73 -43.6 96.04 Favored 'General case' 0 C--N 1.33 -0.269 0 N-CA-C 109.452 -0.573 . . . . 10.0 109.452 178.726 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 39' ' ' GLU . . . . . 0.447 ' CD ' HH21 ' C' ' 15' ' ' ARG . 41.8 mt-10 -60.61 -39.39 88.0 Favored 'General case' 0 C--O 1.233 0.229 0 CA-C-N 115.772 -0.649 . . . . 10.0 110.547 178.88 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 10.0 mmm-85 -70.06 -41.47 74.14 Favored 'General case' 0 C--N 1.33 -0.255 0 N-CA-C 109.843 -0.428 . . . . 10.0 109.843 178.6 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 41' ' ' ARG . . . . . . . . . . . . . 93.7 mtt180 -58.6 -42.81 88.98 Favored 'General case' 0 C--N 1.331 -0.213 0 N-CA-C 109.248 -0.649 . . . . 10.0 109.248 178.533 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 8.0 tp10 -55.76 -48.38 75.37 Favored 'General case' 0 CA--C 1.527 0.073 0 CA-C-N 115.611 -0.722 . . . . 10.0 110.155 178.913 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -63.7 -35.15 79.62 Favored 'General case' 0 C--O 1.234 0.288 0 CA-C-N 116.221 -0.445 . . . . 10.0 110.794 179.743 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 44' ' ' GLU . . . . . 0.414 ' HG2' HD22 ' C' ' 23' ' ' LEU . 1.2 tp10 -68.52 -46.56 69.24 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.668 -0.697 . . . . 10.0 111.083 179.913 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 45' ' ' SER . . . . . . . . . . . . . 2.8 p -74.58 -19.93 60.13 Favored 'General case' 0 C--N 1.331 -0.203 0 N-CA-C 111.857 0.317 . . . . 10.0 111.857 -179.389 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.489 0 CA-C-O 121.039 0.447 . . . . 10.0 111.266 179.789 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' C' C ' 3' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.468 0.429 0 N-CA-C 112.255 0.465 . . . . 10.0 112.255 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 4' ' ' ALA . . . . . . . . . . . . . . . -77.64 -12.16 59.94 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 120.925 0.393 . . . . 10.0 111.697 -179.001 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 5' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -81.9 -34.56 29.91 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 120.804 0.335 . . . . 10.0 111.362 -179.277 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 6' ' ' LYS . . . . . . . . . . . . . 5.8 tptm -62.3 -38.75 90.58 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.197 -0.456 . . . . 10.0 111.985 -179.024 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 7' ' ' ILE . . . . . . . . . . . . . 41.5 pt -80.13 -22.17 11.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-N 116.414 -0.357 . . . . 10.0 111.414 -178.94 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 8' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -78.88 -21.2 47.82 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.074 0.464 . . . . 10.0 110.497 -179.633 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 9' ' ' ASN . . . . . . . . . . . . . 14.1 t-20 -89.53 5.15 46.78 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.636 0.731 . . . . 10.0 109.812 179.214 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 10' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -116.01 106.71 14.08 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.841 -0.618 . . . . 10.0 110.564 -179.763 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 11' ' ' ILE . . . . . . . . . . . . . 2.5 tp -56.17 -29.3 27.14 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.37 0 CA-C-N 116.28 -0.418 . . . . 10.0 111.138 179.865 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 12' ' ' ARG . . . . . . . . . . . . . 29.8 mmt180 -63.12 -55.77 22.5 Favored 'General case' 0 C--N 1.333 -0.123 0 CA-C-O 121.038 0.447 . . . . 10.0 110.722 179.891 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 13' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -68.51 -34.43 75.88 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.832 -0.622 . . . . 10.0 110.697 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 14' ' ' LEU . . . . . . . . . . . . . 12.9 tp -62.76 -45.9 90.55 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.748 -0.66 . . . . 10.0 110.808 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 15' ' ' ARG . . . . . 0.447 HH21 ' CD ' ' B' ' 39' ' ' GLU . 72.3 mtt180 -66.4 -14.48 62.21 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.444 -0.343 . . . . 10.0 111.379 179.841 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 16' ' ' ALA . . . . . . . . . . . . . . . -90.26 -54.74 3.88 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.648 0.261 . . . . 10.0 111.359 -179.888 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 17' ' ' GLN . . . . . . . . . . . . . 39.6 tt0 -71.36 -16.86 62.44 Favored 'General case' 0 CA--C 1.532 0.273 0 N-CA-C 111.814 0.301 . . . . 10.0 111.814 -178.582 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 18' ' ' ALA . . . . . . . . . . . . . . . -68.11 -12.63 61.22 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.209 0.528 . . . . 10.0 110.939 179.542 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 19' ' ' ARG . . . . . . . . . . . . . 29.6 mtt180 -95.8 2.99 54.12 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.157 -0.474 . . . . 10.0 110.305 179.834 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 20' ' ' GLU . . . . . . . . . . . . . 23.1 tt0 -86.21 -5.69 59.14 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.794 -0.639 . . . . 10.0 110.14 179.855 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 21' ' ' CYS . . . . . . . . . . . . . 73.0 m -142.26 169.51 17.45 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 121.324 0.583 . . . . 0.0 111.014 179.653 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 22' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -85.77 172.15 11.03 Favored 'General case' 0 N--CA 1.451 -0.385 0 CA-C-N 115.9 -0.591 . . . . 10.0 111.01 179.723 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 23' ' ' LEU . . . . . 0.414 HD22 ' HG2' ' B' ' 44' ' ' GLU . 27.2 tp -61.52 -39.9 92.66 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.16 -0.473 . . . . 10.0 111.772 -179.422 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 24' ' ' GLU . . . . . . . . . . . . . 18.7 tt0 -54.76 -51.33 66.02 Favored 'General case' 0 N--CA 1.463 0.195 0 CA-C-O 120.679 0.276 . . . . 10.0 111.531 -179.197 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 25' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -60.95 -45.14 95.89 Favored 'General case' 0 N--CA 1.452 -0.355 0 CA-C-N 116.416 -0.356 . . . . 10.0 110.946 -179.734 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 26' ' ' LEU . . . . . . . . . . . . . 95.2 mt -62.81 -39.37 94.06 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.163 -0.471 . . . . 10.0 111.172 -179.738 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 27' ' ' GLU . . . . . . . . . . . . . 18.1 tt0 -71.67 -50.39 30.94 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.938 -0.574 . . . . 10.0 111.571 -179.263 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 28' ' ' GLU . . . . . . . . . . . . . 27.6 tt0 -57.16 -41.92 80.09 Favored 'General case' 0 N--CA 1.464 0.239 0 CA-C-O 120.708 0.29 . . . . 10.0 111.172 -179.225 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 29' ' ' MET . . . . . 0.43 ' SD ' ' HG ' ' B' ' 5' ' ' LEU . 19.6 ptp -76.29 -26.87 56.32 Favored 'General case' 0 C--N 1.329 -0.302 0 C-N-CA 120.681 -0.407 . . . . 10.0 111.269 -179.565 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 30' ' ' LEU . . . . . 0.447 HD22 HG21 ' B' ' 37' ' ' VAL . 12.8 tp -65.3 -42.67 92.84 Favored 'General case' 0 C--N 1.331 -0.208 0 N-CA-C 110.015 -0.365 . . . . 10.0 110.015 179.132 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 31' ' ' GLU . . . . . . . . . . . . . 27.2 mt-10 -60.99 -36.63 79.96 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.665 -0.698 . . . . 10.0 110.048 179.467 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 32' ' ' LYS . . . . . 0.506 ' O ' HG23 ' C' ' 36' ' ' VAL . 34.3 mttt -71.99 -22.57 61.41 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.845 -0.616 . . . . 10.0 110.761 179.84 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 33' ' ' LEU . . . . . 0.469 ' O ' HG23 ' C' ' 37' ' ' VAL . 30.5 tp -83.54 -45.42 13.58 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.45 -0.341 . . . . 10.0 110.507 179.45 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 34' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -61.18 -33.22 73.11 Favored 'General case' 0 C--N 1.333 -0.125 0 CA-C-N 116.243 -0.435 . . . . 10.0 111.39 -178.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 35' ' ' VAL . . . . . 0.54 HG11 ' HB2' ' A' ' 68' ' ' TRP . 29.8 m -73.16 -32.61 39.19 Favored 'Isoleucine or valine' 0 C--O 1.228 -0.052 0 C-N-CA 120.501 -0.48 . . . . 10.0 110.786 179.507 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 36' ' ' VAL . . . . . 0.506 HG23 ' O ' ' C' ' 32' ' ' LYS . 71.2 t -69.11 -42.79 81.95 Favored 'Isoleucine or valine' 0 C--O 1.234 0.266 0 N-CA-C 109.144 -0.687 . . . . 10.0 109.144 179.11 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 37' ' ' VAL . . . . . 0.469 HG23 ' O ' ' C' ' 33' ' ' LEU . 38.3 t -66.3 -36.86 78.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 115.542 -0.754 . . . . 10.0 109.046 178.393 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 38' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -66.52 -43.28 85.66 Favored 'General case' 0 CA--C 1.521 -0.144 0 CA-C-N 115.645 -0.707 . . . . 10.0 110.277 179.261 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 39' ' ' GLU . . . . . . . . . . . . . 35.8 mt-10 -55.6 -46.55 77.3 Favored 'General case' 0 CA--C 1.518 -0.255 0 N-CA-C 108.981 -0.748 . . . . 10.0 108.981 178.377 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 40' ' ' ARG . . . . . 0.424 ' HB3' HD13 ' B' ' 23' ' ' LEU . 0.0 OUTLIER -60.94 -44.75 96.8 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 114.881 -1.054 . . . . 10.0 110.169 178.931 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' C' C ' 41' ' ' ARG . . . . . 0.546 ' HD3' ' OE2' ' B' ' 27' ' ' GLU . 7.5 mmm180 -58.71 -52.54 65.27 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.808 -0.633 . . . . 10.0 111.316 179.879 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 42' ' ' GLU . . . . . . . . . . . . . 31.0 mt-10 -59.51 -47.03 87.09 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.652 -0.703 . . . . 10.0 111.182 -179.595 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 43' ' ' GLU . . . . . . . . . . . . . 54.7 mm-40 -63.02 -43.9 97.45 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.181 -0.463 . . . . 10.0 111.145 -179.529 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 44' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 . . . . . 0 C--N 1.327 -0.405 0 CA-C-N 116.144 -0.48 . . . . 10.0 110.771 179.788 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 2.1 mp . . . . . 0 N--CA 1.48 1.037 0 N-CA-C 110.04 -0.355 . . . . 10.0 110.04 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -80.71 153.93 27.57 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.129 -0.487 . . . . 10.0 111.65 -179.367 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 80.5 tttt -58.87 -39.76 82.34 Favored 'General case' 0 C--O 1.236 0.355 0 CA-C-N 115.939 -0.573 . . . . 10.0 110.852 179.909 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -66.52 -30.77 71.17 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.712 -0.676 . . . . 10.0 111.726 -179.944 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 48.2 m-20 -65.73 -45.66 81.82 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.193 -0.458 . . . . 10.0 110.354 -179.821 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 62.1 m-85 -66.51 -40.08 89.02 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 109.518 -0.549 . . . . 10.0 109.518 178.756 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 58.6 tp -56.95 -46.16 82.29 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 114.993 -1.003 . . . . 10.0 111.276 179.901 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 87.6 mmm -63.82 -38.18 90.12 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.907 0.384 . . . . 10.0 110.922 -179.888 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.46 -26.39 66.36 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.152 -0.476 . . . . 10.0 110.662 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 91.0 mt -94.67 -8.99 36.28 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.11 -0.495 . . . . 10.0 111.509 -179.643 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -69.1 -24.29 64.1 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.952 0.406 . . . . 10.0 110.558 -179.708 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 61.7 mtm-85 -76.7 -27.26 55.42 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.03 -0.532 . . . . 10.0 110.233 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 8.5 m -82.88 122.4 28.19 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.788 -0.642 . . . . 10.0 111.058 -179.256 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -125.52 -165.76 1.46 Allowed 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.727 -0.67 . . . . 10.0 109.225 179.35 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . 0.403 ' O ' ' HB ' ' A' ' 21' ' ' ILE . 5.4 m 73.54 -18.39 0.38 Allowed 'General case' 0 CA--C 1.541 0.61 0 N-CA-C 112.385 0.513 . . . . 10.0 112.385 179.062 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.403 ' HB ' ' O ' ' A' ' 20' ' ' THR . 81.5 mt 74.45 -48.85 0.19 Allowed 'Isoleucine or valine' 0 N--CA 1.47 0.575 0 C-N-CA 123.32 0.648 . . . . 10.0 111.187 -179.533 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 20.1 t70 -52.45 -49.67 64.16 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.705 -0.68 . . . . 10.0 111.382 179.772 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -74.19 -26.43 60.28 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.449 -0.342 . . . . 10.0 111.416 179.77 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 49.6 tp -67.51 -38.55 84.44 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.208 -0.451 . . . . 10.0 110.748 -179.71 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 7.0 mt-10 -74.61 -7.4 53.05 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.465 -0.334 . . . . 10.0 111.28 179.847 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 5.0 mtt85 -91.18 -39.9 11.86 Favored 'General case' 0 C--N 1.328 -0.351 0 C-N-CA 121.044 -0.262 . . . . 10.0 111.194 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 9.3 p -67.53 -38.25 80.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 120.957 0.408 . . . . 10.0 110.302 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 46.8 pt -70.47 -27.43 31.38 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-O 121.136 0.493 . . . . 10.0 109.962 179.025 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 34.2 tp10 -69.68 -43.14 73.11 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.637 -0.71 . . . . 10.0 109.354 178.805 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 6.8 tttp -67.52 -48.56 66.67 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.654 -0.703 . . . . 10.0 110.557 179.518 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . 0.559 ' O ' ' HG ' ' A' ' 35' ' ' LEU . 0.9 OUTLIER -60.37 -28.81 68.49 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.435 -0.802 . . . . 10.0 111.385 -179.396 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 28.3 ttmt -53.5 -40.96 65.82 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.842 0.353 . . . . 10.0 111.601 179.825 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 34.9 m-85 -90.9 -23.53 20.47 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.81 0.338 . . . . 10.0 111.319 -179.157 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 21.9 mt-10 -78.03 -35.96 49.17 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.494 -0.321 . . . . 10.0 111.532 -179.253 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.559 ' HG ' ' O ' ' A' ' 31' ' ' ASN . 92.1 mt -66.53 165.01 15.36 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.928 0.394 . . . . 10.0 111.289 -179.136 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . 0.443 ' O ' ' HB2' ' A' ' 37' ' ' ASP . 67.0 m -93.42 8.92 38.64 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.093 -0.503 . . . . 10.0 110.977 -179.84 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . 0.443 ' HB2' ' O ' ' A' ' 36' ' ' SER . 98.4 m-20 75.32 -14.29 0.78 Allowed 'General case' 0 C--O 1.261 1.663 0 C-N-CA 124.554 1.142 . . . . 0.0 111.064 177.136 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 2.2 p-10 -86.19 -30.16 22.64 Favored 'General case' 0 C--N 1.328 -0.347 0 O-C-N 119.77 -1.831 . . . . 10.0 110.959 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -93.98 -2.78 52.59 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.271 0.558 . . . . 10.0 110.122 -179.842 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 32.7 tp -60.35 -25.71 66.04 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.438 -0.801 . . . . 10.0 110.932 179.799 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -61.72 -54.51 41.59 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.973 -0.558 . . . . 10.0 111.397 -179.67 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 5.4 m -73.5 -28.8 25.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-O 120.827 0.346 . . . . 10.0 110.995 -179.493 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 81.5 t80 -66.89 -40.65 87.82 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.111 -0.495 . . . . 10.0 110.132 179.378 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -65.13 -40.02 93.87 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.032 -0.531 . . . . 10.0 110.33 179.224 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -61.18 -33.9 74.18 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.161 -0.472 . . . . 10.0 110.14 179.306 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -73.27 -46.22 51.22 Favored 'General case' 0 N--CA 1.454 -0.237 0 CA-C-N 116.043 -0.526 . . . . 10.0 110.38 179.516 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -61.83 -46.55 89.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.907 -0.588 . . . . 10.0 110.109 179.295 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -54.69 -51.47 65.41 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.537 -0.756 . . . . 10.0 110.077 178.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' HIS . . . . . 0.427 ' O ' ' HG2' ' A' ' 53' ' ' GLU . 2.9 t60 -62.03 -44.63 96.3 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.104 -0.953 . . . . 10.0 111.345 -179.027 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 25.2 tpt180 -67.26 -40.88 86.28 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.353 -0.385 . . . . 10.0 111.606 -179.15 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 53.8 tp -67.3 -38.55 85.16 Favored 'General case' 0 C--N 1.323 -0.559 0 C-N-CA 121.069 -0.252 . . . . 10.0 110.606 -179.789 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -60.27 -49.12 78.88 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.343 -0.39 . . . . 10.0 111.935 -179.657 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . 0.427 ' HG2' ' O ' ' A' ' 49' ' ' HIS . 10.4 pt-20 -68.99 -32.48 72.08 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 120.767 0.318 . . . . 10.0 110.854 -179.85 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.402 HD12 ' HA ' ' A' ' 54' ' ' LEU . 13.8 tp -71.86 -34.12 68.97 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.414 -0.357 . . . . 10.0 110.229 179.511 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 86.5 m -68.67 -36.11 78.11 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 121.233 0.54 . . . . 10.0 109.973 178.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 76.5 mmm -83.7 -5.84 59.29 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.718 -0.674 . . . . 10.0 110.29 179.023 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 6.3 t30 55.4 46.75 22.67 Favored 'General case' 0 C--O 1.234 0.258 0 CA-C-N 115.487 -0.779 . . . . 10.0 110.701 -179.566 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 4.5 tppp? -166.23 126.82 1.72 Allowed 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.462 -0.79 . . . . 10.0 109.171 179.696 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 7.1 mp -68.24 127.29 32.4 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.231 0.538 . . . . 10.0 110.624 -179.881 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 25.7 m-85 -126.05 128.25 47.12 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.623 -0.717 . . . . 10.0 110.794 -179.403 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 14.4 t70 -66.78 -47.03 73.42 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 107.608 -1.256 . . . . 10.0 107.608 177.655 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 43.0 tptt -116.3 123.41 47.6 Favored 'General case' 0 N--CA 1.449 -0.481 0 CA-C-N 114.532 -1.213 . . . . 10.0 108.354 178.17 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.414 HG12 ' CE1' ' A' ' 49' ' ' HIS . 45.4 mm -82.93 123.09 78.16 Favored Pre-proline 0 C--N 1.322 -0.627 0 CA-C-N 116.542 -0.299 . . . . 10.0 111.416 -179.096 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 31.6 Cg_exo -59.12 140.98 97.49 Favored 'Trans proline' 0 C--N 1.349 0.601 0 C-N-CA 122.216 1.944 . . . . 10.0 110.978 178.158 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -55.21 -35.72 65.2 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 112.996 0.739 . . . . 10.0 112.996 -178.061 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 97.6 p -73.41 -7.63 52.51 Favored 'General case' 0 C--O 1.26 1.631 0 O-C-N 121.746 -0.596 . . . . 0.0 111.023 -176.588 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 89.4 t -83.33 -28.14 7.75 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.934 0 CA-C-N 120.11 1.323 . . . . 10.0 111.435 -179.059 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' TRP . . . . . 0.41 ' HB3' ' CD1' ' B' ' 11' ' ' ILE . 60.5 m95 -61.5 -19.74 62.41 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 112.179 0.437 . . . . 10.0 112.179 -178.895 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 20.5 tptp -68.07 -22.15 64.94 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.729 0.3 . . . . 10.0 111.157 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 80.9 m-85 -99.88 10.03 42.0 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.444 -0.343 . . . . 10.0 111.716 -178.889 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -77.46 138.34 20.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-O 121.024 0.44 . . . . 10.0 110.013 179.508 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.247 0.936 0 CA-C-O 118.04 -0.981 . . . . 10.0 108.866 179.351 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.532 0.279 0 CA-C-O 120.565 0.221 . . . . 10.0 111.022 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . -73.71 -49.41 25.83 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.845 0.355 . . . . 10.0 111.129 -179.601 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 8.6 mp -66.58 -11.28 52.46 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.918 -0.583 . . . . 10.0 111.248 -179.59 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 84.0 tttt -81.11 -47.94 12.83 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.94 -0.573 . . . . 10.0 110.912 -179.742 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 7' ' ' ILE . . . . . . . . . . . . . 31.0 pt -79.72 -24.81 12.13 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 CA-C-N 116.166 -0.47 . . . . 10.0 111.089 -179.805 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 8' ' ' LEU . . . . . 0.454 HD23 ' SD ' ' C' ' 29' ' ' MET . 35.2 tp -77.13 -12.7 59.98 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.977 -0.556 . . . . 10.0 110.97 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 9' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 -79.92 -18.38 50.68 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.371 -0.377 . . . . 10.0 111.384 -179.48 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 10' ' ' ASN . . . . . 0.402 ' OD1' ' HB2' ' B' ' 12' ' ' ARG . 23.7 t-20 -118.09 136.24 53.7 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.272 0.558 . . . . 10.0 110.539 -179.869 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 11' ' ' ILE . . . . . 0.41 ' CD1' ' HB3' ' A' ' 68' ' ' TRP . 3.3 mt -75.95 -27.22 18.1 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 N-CA-C 113.2 0.815 . . . . 10.0 113.2 -177.882 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 12' ' ' ARG . . . . . 0.402 ' HB2' ' OD1' ' B' ' 10' ' ' ASN . 93.1 mtt180 -62.81 -37.77 88.08 Favored 'General case' 0 N--CA 1.465 0.321 0 CA-C-O 120.792 0.329 . . . . 10.0 110.841 -179.242 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 13' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -79.06 -41.79 27.94 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.167 0.508 . . . . 10.0 110.501 179.121 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 28.1 tp -62.82 -41.31 99.26 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.566 -0.743 . . . . 10.0 111.758 -179.154 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 15' ' ' ARG . . . . . 0.419 ' O ' ' HG2' ' B' ' 19' ' ' ARG . 17.3 mtt180 -58.27 -29.93 66.19 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.725 -0.216 . . . . 10.0 111.413 -179.801 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 16' ' ' ALA . . . . . . . . . . . . . . . -90.86 -38.98 12.59 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.117 0.484 . . . . 10.0 111.084 -179.746 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 17' ' ' GLN . . . . . . . . . . . . . 14.4 tp60 -64.03 -34.4 77.92 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.066 -0.516 . . . . 10.0 111.439 -179.617 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -79.88 4.17 17.52 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 112.273 0.472 . . . . 10.0 112.273 -179.004 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 19' ' ' ARG . . . . . 0.419 ' HG2' ' O ' ' B' ' 15' ' ' ARG . 25.4 mmm180 -85.48 -16.49 39.41 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 122.2 -0.313 . . . . 10.0 111.342 -179.506 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -95.45 7.37 46.43 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.099 0.476 . . . . 10.0 110.703 -179.761 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 21' ' ' CYS . . . . . . . . . . . . . 79.0 m -127.8 138.9 52.89 Favored 'General case' 0 CA--C 1.51 -0.561 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.009 178.427 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -68.62 161.95 26.96 Favored 'General case' 0 C--N 1.313 -1.015 0 O-C-N 124.184 0.927 . . . . 10.0 111.37 179.007 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 23' ' ' LEU . . . . . 0.446 HD21 ' HD2' ' C' ' 41' ' ' ARG . 17.9 tp -57.92 -39.95 79.2 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.342 -0.39 . . . . 10.0 110.427 179.67 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 24' ' ' GLU . . . . . 0.401 ' O ' ' HB2' ' B' ' 28' ' ' GLU . 7.7 tt0 -53.68 -53.43 52.18 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.788 -0.642 . . . . 10.0 111.103 179.746 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -64.62 -38.07 89.75 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.127 -0.488 . . . . 10.0 111.635 -179.354 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 26' ' ' LEU . . . . . 0.42 ' O ' ' HG2' ' B' ' 29' ' ' MET . 83.2 mt -66.09 -50.58 63.6 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.843 -0.617 . . . . 10.0 111.433 -179.271 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 27' ' ' GLU . . . . . 0.473 ' OE1' ' HD3' ' C' ' 41' ' ' ARG . 27.3 tt0 -65.02 -38.27 90.34 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.027 0.441 . . . . 10.0 110.18 -179.864 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 28' ' ' GLU . . . . . 0.401 ' HB2' ' O ' ' B' ' 24' ' ' GLU . 5.9 tm-20 -61.36 -45.87 92.6 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.799 -0.637 . . . . 10.0 110.646 179.897 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 29' ' ' MET . . . . . 0.42 ' HG2' ' O ' ' B' ' 26' ' ' LEU . 16.9 ptp -72.02 -30.21 64.98 Favored 'General case' 0 N--CA 1.463 0.192 0 CA-C-O 121.033 0.444 . . . . 10.0 110.058 179.63 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 15.6 tp -63.25 -46.28 87.64 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.016 -0.538 . . . . 10.0 110.061 178.75 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -60.31 -33.47 72.42 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.83 -0.623 . . . . 10.0 110.637 179.709 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -68.27 -39.45 82.16 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.175 -0.466 . . . . 10.0 110.495 179.552 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 22.6 tp -71.93 -34.88 69.43 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 109.657 -0.498 . . . . 10.0 109.657 179.024 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 17.5 tp10 -57.64 -51.71 68.41 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.809 -0.632 . . . . 10.0 110.79 179.229 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 35' ' ' VAL . . . . . . . . . . . . . 26.4 m -65.95 -31.27 52.96 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.305 0 CA-C-N 116.696 -0.229 . . . . 10.0 111.577 -179.466 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 42.5 t -69.92 -47.3 70.1 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-O 120.955 0.407 . . . . 10.0 110.21 179.566 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 87.0 t -66.68 -36.29 76.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-O 121.063 0.459 . . . . 10.0 109.96 179.089 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 27.3 t-20 -60.98 -39.45 89.67 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.13 -0.486 . . . . 10.0 109.989 178.721 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 39' ' ' GLU . . . . . 0.427 ' O ' ' HG3' ' B' ' 43' ' ' GLU . 23.7 mt-10 -63.52 -49.73 72.34 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.958 -0.564 . . . . 10.0 109.777 178.654 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 20.5 mmm-85 -58.04 -36.08 72.23 Favored 'General case' 0 C--O 1.232 0.148 0 CA-C-N 115.974 -0.557 . . . . 10.0 110.41 179.575 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 41' ' ' ARG . . . . . . . . . . . . . 69.4 mtt180 -58.71 -46.46 87.28 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.787 -0.642 . . . . 10.0 109.913 178.756 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -70.34 -39.74 74.53 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.4 -0.818 . . . . 10.0 110.906 -179.631 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 43' ' ' GLU . . . . . 0.427 ' HG3' ' O ' ' B' ' 39' ' ' GLU . 78.8 mt-10 -58.16 -39.53 79.08 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.926 0.393 . . . . 10.0 111.576 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -77.7 -45.91 23.43 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 116.15 -0.477 . . . . 10.0 112.279 -178.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 45' ' ' SER . . . . . . . . . . . . . 13.4 p -69.69 -36.67 76.17 Favored 'General case' 0 C--N 1.327 -0.413 0 N-CA-C 112.267 0.469 . . . . 10.0 112.267 -178.494 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.322 0 N-CA-C 111.854 0.316 . . . . 10.0 111.854 -179.273 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' C' C ' 3' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.521 -0.162 0 N-CA-C 109.58 -0.526 . . . . 10.0 109.58 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 4' ' ' ALA . . . . . . . . . . . . . . . -66.68 -34.8 78.65 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.576 -0.738 . . . . 10.0 110.8 179.699 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 5' ' ' LEU . . . . . . . . . . . . . 64.3 mt -79.63 -10.64 59.82 Favored 'General case' 0 CA--C 1.532 0.285 0 CA-C-N 116.326 -0.397 . . . . 10.0 110.992 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 6' ' ' LYS . . . . . . . . . . . . . 21.2 tptm -72.1 -55.42 7.36 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.414 -0.357 . . . . 10.0 110.567 -179.744 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 7' ' ' ILE . . . . . 0.457 HD13 ' H ' ' C' ' 7' ' ' ILE . 0.2 OUTLIER -75.44 -12.23 14.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.992 0.425 . . . . 10.0 110.769 -179.668 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' C' C ' 8' ' ' LEU . . . . . 0.549 HD12 HD13 ' C' ' 14' ' ' LEU . 12.4 tp -72.0 -21.93 61.49 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.707 -0.679 . . . . 10.0 110.469 179.794 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 9' ' ' ASN . . . . . . . . . . . . . 7.9 t-20 -91.9 -5.75 52.67 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.148 -0.478 . . . . 10.0 110.371 179.669 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 10' ' ' ASN . . . . . . . . . . . . . 74.7 m-20 -92.16 108.53 20.01 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.096 -0.502 . . . . 10.0 110.344 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 11' ' ' ILE . . . . . 0.418 ' O ' ' HB2' ' C' ' 15' ' ' ARG . 1.8 tp -58.03 -35.47 52.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-N 116.388 -0.369 . . . . 10.0 111.385 -179.485 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 12' ' ' ARG . . . . . . . . . . . . . 14.9 mmt85 -71.15 -50.12 36.71 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.622 0.249 . . . . 10.0 111.273 -179.749 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 13' ' ' THR . . . . . . . . . . . . . 1.8 m -65.53 -41.72 92.79 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.121 0.486 . . . . 10.0 111.221 -179.73 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 14' ' ' LEU . . . . . 0.549 HD13 HD12 ' C' ' 8' ' ' LEU . 50.6 tp -61.76 -48.51 80.35 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.713 -0.676 . . . . 10.0 110.695 179.939 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 15' ' ' ARG . . . . . 0.418 ' HB2' ' O ' ' C' ' 11' ' ' ILE . 24.3 ttt-85 -60.93 -30.47 70.23 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.141 -0.482 . . . . 10.0 110.985 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 16' ' ' ALA . . . . . . . . . . . . . . . -77.31 -45.94 24.59 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.312 -0.404 . . . . 10.0 111.86 -179.748 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 17' ' ' GLN . . . . . . . . . . . . . 2.0 tt0 -75.31 -21.93 58.07 Favored 'General case' 0 C--N 1.331 -0.231 0 C-N-CA 121.068 -0.253 . . . . 10.0 111.48 -179.269 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 18' ' ' ALA . . . . . 0.455 ' O ' HD11 ' C' ' 26' ' ' LEU . . . -67.73 -18.41 64.89 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.073 0.463 . . . . 10.0 110.662 179.306 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 19' ' ' ARG . . . . . . . . . . . . . 98.0 mtt180 -84.07 5.91 24.2 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.304 -0.407 . . . . 10.0 111.172 -179.811 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 20' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -87.07 -14.4 41.57 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.21 -0.45 . . . . 10.0 111.194 179.458 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 21' ' ' CYS . . . . . . . . . . . . . 73.1 m -133.1 168.96 17.56 Favored 'General case' 0 CA--C 1.512 -0.519 0 CA-C-O 121.474 0.654 . . . . 0.0 110.974 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 22' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -76.69 166.27 23.6 Favored 'General case' 0 N--CA 1.45 -0.442 0 CA-C-N 115.072 -0.967 . . . . 10.0 111.47 179.904 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 60.7 tp -62.48 -33.21 74.4 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.206 -0.452 . . . . 10.0 110.965 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 24' ' ' GLU . . . . . . . . . . . . . 4.5 tt0 -56.1 -54.65 42.5 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.316 -0.402 . . . . 10.0 110.831 179.901 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 25' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -67.11 -40.75 86.92 Favored 'General case' 0 N--CA 1.449 -0.507 0 CA-C-N 116.073 -0.512 . . . . 10.0 111.328 -179.828 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 26' ' ' LEU . . . . . 0.455 HD11 ' O ' ' C' ' 18' ' ' ALA . 89.8 mt -60.53 -46.04 91.61 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.176 0.512 . . . . 10.0 110.951 179.406 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 27' ' ' GLU . . . . . 0.504 ' O ' ' HG3' ' C' ' 31' ' ' GLU . 41.1 tt0 -67.7 -48.99 65.0 Favored 'General case' 0 N--CA 1.447 -0.602 0 CA-C-N 115.859 -0.61 . . . . 10.0 110.785 -179.734 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 28' ' ' GLU . . . . . 0.489 ' O ' ' HG3' ' C' ' 32' ' ' LYS . 3.8 tt0 -57.5 -39.54 76.69 Favored 'General case' 0 N--CA 1.461 0.121 0 O-C-N 123.069 0.23 . . . . 10.0 110.93 -179.479 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 29' ' ' MET . . . . . 0.454 ' SD ' HD23 ' B' ' 8' ' ' LEU . 13.2 ptp -73.89 -31.56 63.17 Favored 'General case' 0 C--N 1.331 -0.203 0 C-N-CA 120.449 -0.5 . . . . 10.0 110.719 179.926 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 30' ' ' LEU . . . . . . . . . . . . . 12.6 tp -66.81 -40.4 88.04 Favored 'General case' 0 C--O 1.232 0.148 0 N-CA-C 109.342 -0.614 . . . . 10.0 109.342 178.625 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 31' ' ' GLU . . . . . 0.504 ' HG3' ' O ' ' C' ' 27' ' ' GLU . 52.2 mt-10 -62.81 -31.62 72.65 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.256 -0.884 . . . . 10.0 110.435 179.623 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 32' ' ' LYS . . . . . 0.489 ' HG3' ' O ' ' C' ' 28' ' ' GLU . 85.1 mttt -81.03 -16.89 52.04 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.067 -0.515 . . . . 10.0 110.405 179.817 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 33' ' ' LEU . . . . . 0.594 ' O ' HG12 ' C' ' 36' ' ' VAL . 50.1 tp -86.27 -40.2 15.77 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.149 -0.478 . . . . 10.0 110.508 179.609 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 34' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -66.9 -30.59 70.78 Favored 'General case' 0 C--N 1.326 -0.454 0 C-N-CA 120.934 -0.306 . . . . 10.0 111.327 -179.551 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 35' ' ' VAL . . . . . . . . . . . . . 27.1 m -73.87 -33.97 38.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 C-N-CA 120.973 -0.291 . . . . 10.0 111.335 -179.824 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 36' ' ' VAL . . . . . 0.594 HG12 ' O ' ' C' ' 33' ' ' LEU . 3.8 p -71.97 -31.07 39.17 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.17 0 N-CA-C 109.381 -0.6 . . . . 10.0 109.381 179.135 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 37' ' ' VAL . . . . . . . . . . . . . 77.9 t -72.57 -36.37 53.6 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.341 0 N-CA-C 108.893 -0.781 . . . . 10.0 108.893 178.148 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 38' ' ' ASN . . . . . . . . . . . . . 2.0 t30 -59.05 -42.17 89.63 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.513 -0.767 . . . . 10.0 109.451 178.411 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 39' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -61.6 -34.89 76.41 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 115.512 -0.767 . . . . 10.0 110.115 179.408 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 40' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -73.64 -30.45 62.95 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.873 -0.603 . . . . 10.0 109.903 178.706 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 41' ' ' ARG . . . . . 0.473 ' HD3' ' OE1' ' B' ' 27' ' ' GLU . 10.3 mmm180 -66.35 -47.37 73.64 Favored 'General case' 0 C--N 1.333 -0.15 0 N-CA-C 109.157 -0.682 . . . . 10.0 109.157 178.281 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 42' ' ' GLU . . . . . . . . . . . . . 16.2 mt-10 -65.86 -12.59 55.6 Favored 'General case' 0 N--CA 1.464 0.232 0 CA-C-N 115.791 -0.64 . . . . 10.0 110.726 179.469 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 43' ' ' GLU . . . . . . . . . . . . . 23.3 tt0 -88.33 -56.23 3.4 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.613 -0.721 . . . . 10.0 111.35 -179.247 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 44' ' ' GLU . . . . . . . . . . . . . 5.3 mt-10 . . . . . 0 C--N 1.328 -0.342 0 N-CA-C 112.665 0.616 . . . . 10.0 112.665 -178.418 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 52.2 tp . . . . . 0 N--CA 1.479 0.983 0 N-CA-C 110.104 -0.332 . . . . 10.0 110.104 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -92.05 152.3 20.03 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.298 -0.41 . . . . 10.0 111.03 -179.869 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 60.8 pttt -69.23 -20.05 63.95 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.796 0.332 . . . . 10.0 110.625 179.655 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -61.68 -38.3 87.27 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.028 -0.533 . . . . 10.0 111.035 179.639 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -63.16 -38.32 90.72 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.065 -0.516 . . . . 10.0 110.61 -179.773 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 4.3 m-85 -78.42 -37.42 43.87 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.062 -0.517 . . . . 10.0 109.687 178.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 42.7 tp -58.29 -51.22 70.69 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.823 -0.626 . . . . 10.0 110.896 179.767 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 1.6 tpt -65.44 -31.89 73.22 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.033 0.444 . . . . 10.0 110.393 -179.86 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.76 -30.48 69.09 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.992 -0.549 . . . . 10.0 110.418 179.201 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 91.3 mt -93.23 -4.03 52.67 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.166 -0.47 . . . . 10.0 111.229 -179.803 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -66.35 -23.89 66.42 Favored 'General case' 0 N--CA 1.464 0.272 0 CA-C-O 121.104 0.478 . . . . 10.0 110.662 -179.886 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 90.2 mtm-85 -78.17 -20.06 52.73 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.311 0.577 . . . . 10.0 110.527 179.319 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 35.4 m -79.57 99.39 7.28 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.782 -0.644 . . . . 10.0 110.691 -179.809 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 12.4 mm100 -98.65 -174.32 2.77 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.821 -0.627 . . . . 10.0 109.772 179.054 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . 0.457 ' O ' ' HB ' ' A' ' 21' ' ' ILE . 7.4 p 62.79 -8.19 0.13 Allowed 'General case' 0 N--CA 1.472 0.675 0 N-CA-C 114.428 1.269 . . . . 10.0 114.428 178.283 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.457 ' HB ' ' O ' ' A' ' 20' ' ' THR . 82.0 mt 73.43 -48.63 0.19 Allowed 'Isoleucine or valine' 0 N--CA 1.469 0.493 0 C-N-CA 122.876 0.471 . . . . 10.0 110.657 -179.147 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 13.0 t70 -54.65 -37.75 66.06 Favored 'General case' 0 C--N 1.327 -0.384 0 C-N-CA 123.06 0.544 . . . . 10.0 111.275 179.762 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 5.3 m -67.3 -39.87 86.0 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.253 0.549 . . . . 10.0 110.596 179.128 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.453 ' HA ' HG12 ' A' ' 27' ' ' VAL . 20.0 tp -65.83 -40.01 91.39 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.337 -0.847 . . . . 10.0 110.874 -179.268 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 6.7 tp10 -56.69 -26.22 56.03 Favored 'General case' 0 CA--C 1.538 0.508 0 CA-C-N 115.961 -0.563 . . . . 10.0 111.802 -179.647 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 72.9 mtt85 -90.7 -39.77 12.25 Favored 'General case' 0 C--N 1.33 -0.271 0 N-CA-C 111.845 0.313 . . . . 10.0 111.845 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.453 HG12 ' HA ' ' A' ' 24' ' ' LEU . 5.8 p -65.77 -35.37 74.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 C-N-CA 121.088 -0.245 . . . . 10.0 111.271 -178.951 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.498 ' O ' ' HB2' ' A' ' 32' ' ' LYS . 48.7 pt -74.48 -21.95 17.53 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-O 120.975 0.417 . . . . 10.0 110.235 179.582 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 9.9 tp10 -78.22 -46.16 21.11 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.824 -0.626 . . . . 10.0 109.634 179.415 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 24.1 mtpp -67.14 -47.91 69.66 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.646 -0.706 . . . . 10.0 111.003 179.902 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . 0.477 ' O ' ' HG ' ' A' ' 35' ' ' LEU . 0.1 OUTLIER -66.26 -25.63 66.97 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.196 -0.457 . . . . 10.0 111.622 -179.339 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.498 ' HB2' ' O ' ' A' ' 28' ' ' ILE . 36.0 ttmt -56.7 -34.48 67.47 Favored 'General case' 0 C--N 1.328 -0.358 0 C-N-CA 122.778 0.431 . . . . 10.0 111.632 -179.712 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 88.6 m-85 -96.93 -3.07 42.46 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 120.924 0.392 . . . . 10.0 111.469 -178.872 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 53.5 mt-10 -103.91 9.08 36.9 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.17 0.51 . . . . 10.0 110.195 179.478 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.477 ' HG ' ' O ' ' A' ' 31' ' ' ASN . 88.7 mt -104.7 158.39 16.54 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.751 -0.658 . . . . 10.0 110.521 179.638 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . 0.503 ' O ' ' HB2' ' A' ' 37' ' ' ASP . 2.4 m -92.9 1.68 57.17 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 116.139 -0.482 . . . . 10.0 110.47 -179.799 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . 0.503 ' HB2' ' O ' ' A' ' 36' ' ' SER . 97.1 m-20 79.75 -14.4 0.86 Allowed 'General case' 0 C--O 1.255 1.389 0 C-N-CA 124.919 1.288 . . . . 0.0 111.079 178.929 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 2.2 p-10 -82.77 -32.82 27.59 Favored 'General case' 0 C--N 1.331 -0.234 0 O-C-N 120.827 -1.171 . . . . 10.0 109.869 178.829 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.422 ' CD ' ' H ' ' A' ' 36' ' ' SER . 0.0 OUTLIER -88.0 -16.08 34.66 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 108.948 -0.76 . . . . 10.0 108.948 178.873 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 29.5 tp -61.21 -21.55 63.94 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 114.759 -1.11 . . . . 10.0 110.317 179.176 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -60.58 -40.01 90.15 Favored 'General case' 0 N--CA 1.455 -0.223 0 CA-C-N 115.871 -0.604 . . . . 10.0 111.465 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 35.5 m -93.06 -17.17 7.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.677 -0.238 . . . . 10.0 111.022 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 54.3 t80 -66.38 -32.38 73.73 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.824 0.345 . . . . 10.0 110.509 179.617 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 24.8 m-85 -58.42 -64.68 0.84 Allowed 'General case' 0 C--O 1.224 -0.263 0 CA-C-N 115.947 -0.57 . . . . 10.0 110.501 179.096 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 18.2 t -56.97 -28.6 62.48 Favored 'General case' 0 CA--C 1.535 0.389 0 CA-C-N 116.142 -0.481 . . . . 10.0 111.379 -179.209 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -67.69 -55.02 14.83 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.749 0.309 . . . . 10.0 110.547 179.217 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -68.09 -39.29 82.9 Favored 'General case' 0 C--O 1.235 0.335 0 CA-C-N 116.08 -0.509 . . . . 10.0 110.557 179.882 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -55.8 -44.91 78.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.547 0.689 . . . . 10.0 110.022 178.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' HIS . . . . . 0.432 ' O ' ' HG2' ' A' ' 53' ' ' GLU . 6.2 t60 -70.98 -43.65 67.6 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.436 -0.802 . . . . 10.0 110.584 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 17.9 tpt180 -60.75 -41.71 95.96 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.041 -0.527 . . . . 10.0 111.921 -178.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 11.9 tp -69.9 -37.87 76.12 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 116.582 -0.281 . . . . 10.0 110.902 -179.667 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . 0.538 ' HA ' HD11 ' A' ' 71' ' ' ILE . . . -58.78 -51.08 71.52 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.346 -0.388 . . . . 10.0 112.011 -179.557 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . 0.432 ' HG2' ' O ' ' A' ' 49' ' ' HIS . 10.7 pt-20 -67.5 -32.4 73.19 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.366 -0.379 . . . . 10.0 111.541 -179.197 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 12.0 tp -73.85 -33.95 64.32 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 111.774 0.287 . . . . 10.0 111.774 -179.127 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 13.3 m -70.67 -37.05 73.62 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.804 0.335 . . . . 10.0 111.034 -179.699 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 93.6 mmm -88.87 -8.97 53.29 Favored 'General case' 0 C--O 1.235 0.299 0 CA-C-N 116.423 -0.353 . . . . 10.0 110.844 179.831 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 49.6 t30 63.19 27.15 15.52 Favored 'General case' 0 N--CA 1.465 0.322 0 CA-C-N 115.637 -0.711 . . . . 10.0 110.833 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 43.9 tttp -141.2 122.99 15.31 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.734 -0.666 . . . . 10.0 109.847 -179.872 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 7.8 mp -74.32 136.55 42.56 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.137 -0.483 . . . . 10.0 110.929 -179.473 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 52.9 m-85 -129.74 143.16 50.68 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.766 -0.652 . . . . 10.0 110.262 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 23.1 m-20 -74.77 -43.34 55.34 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 109.12 -0.696 . . . . 10.0 109.12 178.632 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 24.3 pttt -104.57 -163.03 0.93 Allowed 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.482 -0.781 . . . . 10.0 109.518 178.854 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.47 ' HA ' ' HD3' ' A' ' 64' ' ' PRO . 12.9 mm -120.9 125.19 27.14 Favored Pre-proline 0 C--N 1.324 -0.522 0 N-CA-C 111.723 0.268 . . . . 10.0 111.723 -179.285 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . 0.47 ' HD3' ' HA ' ' A' ' 63' ' ' ILE . 5.2 Cg_exo -80.45 133.18 9.43 Favored 'Trans proline' 0 C--N 1.349 0.58 0 C-N-CA 122.729 2.286 . . . . 10.0 110.64 176.626 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 1.1 m -58.78 -46.68 86.97 Favored 'General case' 0 C--N 1.32 -0.716 0 N-CA-C 113.507 0.929 . . . . 10.0 113.507 -178.397 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 97.7 p -80.82 23.5 0.54 Allowed 'General case' 0 C--O 1.26 1.649 0 O-C-N 121.375 -0.828 . . . . 0.0 110.981 -176.346 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.412 HG12 ' O ' ' A' ' 64' ' ' PRO . 1.8 p -101.83 -19.52 5.98 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.096 0 CA-C-N 120.924 1.693 . . . . 10.0 111.418 -179.809 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' TRP . . . . . 0.463 ' CZ2' ' HE2' ' C' ' 32' ' ' LYS . 81.5 m95 -70.59 -8.79 54.21 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 112.419 0.525 . . . . 10.0 112.419 -178.316 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 14.6 tppt? -82.95 -17.49 43.38 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.196 0.522 . . . . 10.0 110.169 179.445 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 40.1 m-85 -94.13 -3.6 50.74 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 120.851 0.358 . . . . 10.0 110.885 -179.611 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . 0.538 HD11 ' HA ' ' A' ' 52' ' ' ALA . 29.4 mt -109.2 139.03 33.68 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 CA-C-N 116.223 -0.444 . . . . 10.0 110.69 -179.17 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 46.3 mtp180 . . . . . 0 C--O 1.25 1.086 0 CA-C-O 118.532 -0.747 . . . . 10.0 110.289 -179.714 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.886 0.374 . . . . 10.0 110.21 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . -67.01 -46.02 75.77 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 115.969 -0.56 . . . . 10.0 110.705 -179.811 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 8.7 mp -76.54 -14.06 60.04 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.136 -0.484 . . . . 10.0 111.316 -179.811 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 60.5 tttt -72.51 -49.6 31.71 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.185 -0.461 . . . . 10.0 110.5 -179.828 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 7' ' ' ILE . . . . . . . . . . . . . 34.6 pt -76.16 -20.4 15.32 Favored 'Isoleucine or valine' 0 C--O 1.232 0.181 0 CA-C-N 116.352 -0.385 . . . . 10.0 111.112 -179.769 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 5.5 tp -77.26 -20.19 55.48 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.973 -0.558 . . . . 10.0 111.084 -179.786 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 9' ' ' ASN . . . . . . . . . . . . . 46.2 t30 -93.25 24.08 4.05 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.754 0.312 . . . . 10.0 111.657 -179.036 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 10' ' ' ASN . . . . . . . . . . . . . 28.4 t-20 -148.63 120.35 8.08 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 109.917 -0.401 . . . . 10.0 109.917 178.354 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 11' ' ' ILE . . . . . 0.4 ' H ' HG12 ' B' ' 11' ' ' ILE . 3.4 pt -63.49 -34.32 66.75 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 N-CA-C 113.088 0.773 . . . . 10.0 113.088 -178.21 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 12' ' ' ARG . . . . . . . . . . . . . 51.2 mtt180 -64.63 -40.07 94.81 Favored 'General case' 0 C--N 1.325 -0.486 0 C-N-CA 121.033 -0.267 . . . . 10.0 111.572 -178.488 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 13' ' ' THR . . . . . . . . . . . . . 1.4 p -80.4 -40.13 27.03 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 121.222 0.534 . . . . 10.0 111.167 179.335 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 14' ' ' LEU . . . . . 0.407 HD21 HD13 ' C' ' 33' ' ' LEU . 18.2 tp -67.37 -35.54 79.55 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.794 -0.639 . . . . 10.0 111.885 -178.579 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 15' ' ' ARG . . . . . 0.431 ' O ' ' HG2' ' B' ' 19' ' ' ARG . 18.1 mtt180 -57.76 -40.99 81.02 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.528 0.204 . . . . 10.0 111.078 -179.892 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 16' ' ' ALA . . . . . . . . . . . . . . . -75.93 -35.3 59.79 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.098 0.475 . . . . 10.0 111.151 -179.72 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 17' ' ' GLN . . . . . . . . . . . . . 26.6 tp60 -67.89 -34.87 77.49 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.007 -0.542 . . . . 10.0 111.376 -179.666 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -78.67 2.57 19.07 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 112.602 0.593 . . . . 10.0 112.602 -178.843 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 19' ' ' ARG . . . . . 0.431 ' HG2' ' O ' ' B' ' 15' ' ' ARG . 21.5 mmm180 -87.91 -9.83 52.47 Favored 'General case' 0 C--N 1.327 -0.397 0 C-N-CA 120.644 -0.422 . . . . 10.0 110.615 179.531 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 4.3 pt-20 -96.63 -0.99 47.72 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.971 0.415 . . . . 10.0 110.848 179.747 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 21' ' ' CYS . . . . . . . . . . . . . 79.4 m -123.46 140.04 53.41 Favored 'General case' 0 CA--C 1.51 -0.57 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.013 178.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 22' ' ' THR . . . . . 0.555 ' HB ' ' OE1' ' B' ' 24' ' ' GLU . 0.0 OUTLIER -71.57 163.19 28.2 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 116.322 -0.399 . . . . 10.0 111.082 178.866 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 46.7 tp -58.96 -32.34 69.55 Favored 'General case' 0 C--O 1.224 -0.268 0 CA-C-N 116.532 -0.303 . . . . 10.0 111.239 -179.217 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 24' ' ' GLU . . . . . 0.555 ' OE1' ' HB ' ' B' ' 22' ' ' THR . 29.0 mp0 -56.35 -47.51 78.69 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.854 0.359 . . . . 10.0 111.374 -179.459 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 1.6 m -72.74 -37.75 67.62 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.944 0.402 . . . . 10.0 110.878 179.693 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 97.2 mt -63.86 -44.18 93.88 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.988 -0.551 . . . . 10.0 110.762 -179.747 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 19.2 tt0 -65.13 -43.37 92.13 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.701 -0.681 . . . . 10.0 110.564 179.89 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 18.3 tt0 -62.11 -46.89 87.03 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.714 -0.676 . . . . 10.0 111.032 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 29' ' ' MET . . . . . . . . . . . . . 14.3 ptp -68.44 -28.55 67.15 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.691 -0.231 . . . . 10.0 110.627 -179.747 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 64.9 tp -64.65 -53.24 50.59 Favored 'General case' 0 N--CA 1.452 -0.373 0 CA-C-N 116.457 -0.338 . . . . 10.0 110.204 179.776 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 38.8 mt-10 -61.15 -38.19 85.53 Favored 'General case' 0 C--O 1.234 0.282 0 CA-C-N 116.111 -0.495 . . . . 10.0 110.157 179.576 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 3.8 ttmt -63.14 -46.5 86.95 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.491 -0.777 . . . . 10.0 110.633 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 33.4 tp -68.24 -34.87 77.01 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.136 0.493 . . . . 10.0 109.939 179.219 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 37.6 tt0 -60.34 -48.47 81.61 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.629 -0.714 . . . . 10.0 110.906 179.618 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 35' ' ' VAL . . . . . . . . . . . . . 23.3 m -67.78 -29.13 44.04 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.148 0 C-N-CA 120.746 -0.382 . . . . 10.0 110.704 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 24.0 t -69.16 -48.41 69.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-O 121.124 0.488 . . . . 10.0 109.86 178.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 76.0 t -67.71 -38.55 80.51 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-N 116.092 -0.504 . . . . 10.0 110.028 179.152 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 19.5 t30 -62.2 -38.03 87.58 Favored 'General case' 0 C--O 1.234 0.287 0 N-CA-C 109.562 -0.532 . . . . 10.0 109.562 178.534 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 39' ' ' GLU . . . . . 0.523 ' O ' ' HG3' ' B' ' 43' ' ' GLU . 5.5 tt0 -61.84 -45.03 95.58 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 108.946 -0.761 . . . . 10.0 108.946 178.307 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 21.2 mmm-85 -62.34 -41.76 98.84 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.171 -0.922 . . . . 10.0 109.521 178.718 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 41' ' ' ARG . . . . . . . . . . . . . 94.5 mtt180 -55.89 -44.83 78.55 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-N 115.772 -0.649 . . . . 10.0 109.893 179.151 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 2.2 tp10 -62.22 -42.07 98.97 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.882 -0.599 . . . . 10.0 110.602 179.807 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 43' ' ' GLU . . . . . 0.523 ' HG3' ' O ' ' B' ' 39' ' ' GLU . 32.3 mt-10 -67.62 -39.0 84.71 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.83 0.348 . . . . 10.0 110.416 179.594 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -69.44 -37.03 77.19 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.673 -0.694 . . . . 10.0 111.431 -179.47 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 45' ' ' SER . . . . . . . . . . . . . 34.3 p -99.4 21.1 12.57 Favored 'General case' 0 N--CA 1.464 0.241 0 CA-C-O 120.95 0.405 . . . . 10.0 111.678 -179.313 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.321 -0.662 0 CA-C-O 120.925 0.393 . . . . 10.0 110.826 -179.973 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' C' C ' 3' ' ' GLU . . . . . 0.458 ' O ' HG12 ' C' ' 7' ' ' ILE . 2.8 mp0 . . . . . 0 C--O 1.232 0.157 0 CA-C-O 120.97 0.414 . . . . 10.0 110.931 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 4' ' ' ALA . . . . . . . . . . . . . . . -56.21 -44.0 79.06 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.793 -0.64 . . . . 10.0 111.84 -179.771 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 5' ' ' LEU . . . . . . . . . . . . . 93.0 mt -71.05 -29.86 65.87 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.682 0.277 . . . . 10.0 111.668 -179.082 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 6' ' ' LYS . . . . . . . . . . . . . 9.5 tptm -67.09 -36.36 81.8 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.014 0.435 . . . . 10.0 110.935 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 7' ' ' ILE . . . . . 0.458 HG12 ' O ' ' C' ' 3' ' ' GLU . 43.0 mm -68.03 -31.37 51.6 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 115.828 -0.623 . . . . 10.0 111.073 -179.891 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 8' ' ' LEU . . . . . . . . . . . . . 6.4 mp -76.31 -13.94 60.13 Favored 'General case' 0 C--O 1.235 0.305 0 CA-C-N 116.091 -0.504 . . . . 10.0 111.759 -179.372 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 9' ' ' ASN . . . . . . . . . . . . . 25.8 t-20 -81.26 -19.85 42.19 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.047 0.451 . . . . 10.0 110.375 179.786 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 10' ' ' ASN . . . . . 0.452 HD22 ' HA ' ' C' ' 10' ' ' ASN . 4.2 m120 -96.39 119.41 34.82 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.088 0.471 . . . . 10.0 110.987 -179.699 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 11' ' ' ILE . . . . . . . . . . . . . 4.8 tp -62.94 -28.18 44.56 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.189 0 CA-C-N 115.872 -0.604 . . . . 10.0 111.022 -179.913 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 12' ' ' ARG . . . . . . . . . . . . . 26.3 mmt180 -62.99 -48.48 78.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.244 -0.434 . . . . 10.0 111.384 -179.712 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 13' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -75.93 -38.94 57.14 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 120.649 0.262 . . . . 10.0 111.546 -179.311 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 14' ' ' LEU . . . . . . . . . . . . . 13.1 tp -61.82 -41.88 98.33 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.843 0.354 . . . . 10.0 110.686 -179.783 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 15' ' ' ARG . . . . . 0.414 HH11 ' HD2' ' C' ' 15' ' ' ARG . 20.8 ttm180 -71.92 -7.8 50.66 Favored 'General case' 0 CA--C 1.534 0.352 0 CA-C-O 121.351 0.596 . . . . 10.0 110.598 179.779 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 16' ' ' ALA . . . . . . . . . . . . . . . -100.89 -45.05 5.56 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.124 -0.489 . . . . 10.0 111.126 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 17' ' ' GLN . . . . . . . . . . . . . 96.8 mt-30 -69.62 -31.62 69.84 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.245 -0.434 . . . . 10.0 111.418 -179.388 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 18' ' ' ALA . . . . . . . . . . . . . . . -70.39 -0.66 8.68 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 112.523 0.564 . . . . 10.0 112.523 -179.205 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 19' ' ' ARG . . . . . . . . . . . . . 67.3 mtt180 -86.38 -16.17 38.11 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.032 0.444 . . . . 10.0 110.262 179.442 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 20' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -74.63 -63.19 1.3 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.668 -0.696 . . . . 10.0 110.838 179.644 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 21' ' ' CYS . . . . . . . . . . . . . 74.4 m -70.29 157.79 37.07 Favored 'General case' 0 CA--C 1.51 -0.572 0 CA-C-O 122.254 1.025 . . . . 0.0 110.951 -179.357 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 22' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -83.8 167.9 16.67 Favored 'General case' 0 N--CA 1.45 -0.444 0 CA-C-N 114.758 -1.11 . . . . 10.0 110.302 178.027 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 21.4 tp -54.87 -43.11 72.83 Favored 'General case' 0 C--N 1.332 -0.159 0 O-C-N 123.142 0.276 . . . . 10.0 111.733 -179.4 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 24' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -50.0 -58.16 6.05 Favored 'General case' 0 N--CA 1.465 0.276 0 O-C-N 123.492 0.495 . . . . 10.0 111.652 -179.849 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 25' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -62.22 -36.12 81.01 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.096 -0.502 . . . . 10.0 111.969 -179.009 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 26' ' ' LEU . . . . . . . . . . . . . 76.6 mt -65.4 -42.94 92.05 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.85 0.357 . . . . 10.0 110.628 179.85 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 27' ' ' GLU . . . . . 0.511 ' O ' ' HG3' ' C' ' 31' ' ' GLU . 12.1 mt-10 -67.94 -47.21 69.32 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.03 -0.532 . . . . 10.0 110.347 179.782 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 28' ' ' GLU . . . . . . . . . . . . . 9.0 tt0 -53.77 -46.65 71.05 Favored 'General case' 0 N--CA 1.462 0.163 0 O-C-N 123.404 0.44 . . . . 10.0 111.073 -179.623 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 29' ' ' MET . . . . . . . . . . . . . 16.0 ptp -75.19 -30.61 60.7 Favored 'General case' 0 C--N 1.328 -0.342 0 C-N-CA 121.218 -0.193 . . . . 10.0 111.357 -179.51 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 30' ' ' LEU . . . . . . . . . . . . . 19.8 tp -64.04 -45.5 88.57 Favored 'General case' 0 C--O 1.234 0.247 0 CA-C-O 121.055 0.455 . . . . 10.0 110.205 179.265 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 31' ' ' GLU . . . . . 0.511 ' HG3' ' O ' ' C' ' 27' ' ' GLU . 65.1 mt-10 -63.69 -32.28 73.71 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.599 -0.728 . . . . 10.0 110.383 179.847 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 32' ' ' LYS . . . . . 0.599 ' O ' HG23 ' C' ' 36' ' ' VAL . 29.0 mttt -73.79 -33.16 64.1 Favored 'General case' 0 N--CA 1.452 -0.36 0 CA-C-N 115.868 -0.605 . . . . 10.0 110.631 179.637 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 33' ' ' LEU . . . . . 0.407 HD13 HD21 ' B' ' 14' ' ' LEU . 63.3 tp -76.64 -42.44 42.06 Favored 'General case' 0 C--O 1.235 0.312 0 CA-C-O 120.571 0.224 . . . . 10.0 110.786 179.474 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 34' ' ' GLU . . . . . 0.417 ' HG2' ' HA ' ' C' ' 31' ' ' GLU . 8.7 pt-20 -63.01 -33.18 74.87 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.405 -0.361 . . . . 10.0 110.786 -179.236 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 35' ' ' VAL . . . . . 0.556 HG12 ' O ' ' C' ' 32' ' ' LYS . 2.9 p -71.17 -33.64 51.73 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.262 0 C-N-CA 120.74 -0.384 . . . . 10.0 110.497 179.685 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 36' ' ' VAL . . . . . 0.599 HG23 ' O ' ' C' ' 32' ' ' LYS . 96.7 t -69.35 -45.63 78.54 Favored 'Isoleucine or valine' 0 C--O 1.234 0.246 0 N-CA-C 109.652 -0.499 . . . . 10.0 109.652 179.229 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 37' ' ' VAL . . . . . . . . . . . . . 59.0 t -62.85 -37.68 79.84 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.324 0 N-CA-C 109.229 -0.656 . . . . 10.0 109.229 178.888 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 38' ' ' ASN . . . . . 0.471 ' O ' ' HG3' ' C' ' 42' ' ' GLU . 13.4 t-20 -58.38 -45.5 88.19 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 115.944 -0.571 . . . . 10.0 109.901 178.776 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 39' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -58.97 -41.63 88.0 Favored 'General case' 0 N--CA 1.461 0.116 0 CA-C-N 116.306 -0.406 . . . . 10.0 110.148 179.17 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 40' ' ' ARG . . . . . 0.555 ' HD2' ' OE1' ' C' ' 43' ' ' GLU . 7.1 mmm180 -64.89 -36.51 84.58 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.489 -0.778 . . . . 10.0 110.625 179.769 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 41' ' ' ARG . . . . . . . . . . . . . 4.9 mmm180 -61.82 -38.65 88.95 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.912 -0.585 . . . . 10.0 110.418 179.715 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 42' ' ' GLU . . . . . 0.471 ' HG3' ' O ' ' C' ' 38' ' ' ASN . 6.1 mt-10 -67.99 -29.72 68.81 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.03 -0.532 . . . . 10.0 110.815 -179.611 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 43' ' ' GLU . . . . . 0.555 ' OE1' ' HD2' ' C' ' 40' ' ' ARG . 48.5 mt-10 -72.15 -54.74 8.81 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.275 0.559 . . . . 10.0 109.944 179.325 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 44' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.324 -0.511 0 CA-C-N 115.342 -0.845 . . . . 10.0 112.135 -179.506 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.659 ' N ' ' HH ' ' A' ' 11' ' ' TYR . 6.9 mp . . . . . 0 N--CA 1.479 1.008 0 N-CA-C 110.275 -0.269 . . . . 10.0 110.275 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -71.87 154.07 41.48 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.175 -0.466 . . . . 10.0 110.995 -179.902 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . 0.541 ' HD2' ' CB ' ' A' ' 45' ' ' SER . 21.0 ttpt -60.68 -38.64 85.6 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.344 0.592 . . . . 10.0 110.581 179.908 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -68.07 -28.55 67.46 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.332 -0.849 . . . . 10.0 111.818 -179.803 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -62.63 -46.7 87.06 Favored 'General case' 0 N--CA 1.463 0.213 0 CA-C-O 120.87 0.367 . . . . 10.0 110.828 -179.492 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . 0.659 ' HH ' ' N ' ' A' ' 6' ' ' LEU . 27.8 m-85 -72.48 -40.68 66.74 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 109.607 -0.516 . . . . 10.0 109.607 179.163 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 55.7 tp -57.6 -48.5 79.23 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.392 -0.822 . . . . 10.0 111.285 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 62.9 mmm -65.8 -35.89 81.96 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.671 0.272 . . . . 10.0 111.308 -179.644 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.68 -31.99 73.02 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.138 0.494 . . . . 10.0 109.931 179.212 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 96.4 mt -86.34 -5.83 59.08 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.147 -0.479 . . . . 10.0 111.171 179.72 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -70.69 -16.71 62.82 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.753 0.311 . . . . 10.0 111.019 -179.747 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . 0.404 HH11 ' HD3' ' A' ' 17' ' ' ARG . 17.2 mtm-85 -90.59 -3.36 57.62 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.139 0.495 . . . . 10.0 110.433 179.847 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 46.3 m -89.9 119.24 30.1 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.825 -0.625 . . . . 10.0 110.064 179.618 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 3.7 mm-40 -119.24 -175.19 2.88 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.927 -0.579 . . . . 10.0 110.979 -179.338 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 1.2 m 67.31 -4.4 0.88 Allowed 'General case' 0 N--CA 1.472 0.643 0 N-CA-C 113.196 0.813 . . . . 10.0 113.196 178.706 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 90.4 mt 70.61 -54.42 0.27 Allowed 'Isoleucine or valine' 0 N--CA 1.469 0.518 0 C-N-CA 122.985 0.514 . . . . 10.0 111.674 -179.719 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . 0.444 ' O ' ' HG3' ' A' ' 26' ' ' ARG . 34.7 t70 -56.43 -42.35 77.92 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.794 0.33 . . . . 10.0 111.029 179.863 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 3.3 m -60.9 -30.54 70.24 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.011 0.434 . . . . 10.0 110.744 179.694 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 22.6 tp -75.79 -44.13 42.86 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 109.555 -0.535 . . . . 10.0 109.555 179.22 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 7.7 tp10 -59.07 -31.3 68.75 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.643 -0.708 . . . . 10.0 110.626 179.909 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . 0.444 ' HG3' ' O ' ' A' ' 22' ' ' ASP . 77.7 mtt180 -74.76 -48.95 22.79 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.294 -0.412 . . . . 10.0 111.682 179.723 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 9.8 p -64.52 -35.3 74.15 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.36 0 N-CA-C 112.422 0.527 . . . . 10.0 112.422 -178.028 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 50.6 pt -69.8 -27.4 33.12 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.123 0 O-C-N 122.161 -0.337 . . . . 10.0 110.591 179.873 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 51.6 tp10 -71.01 -39.65 72.28 Favored 'General case' 0 N--CA 1.456 -0.161 0 N-CA-C 109.508 -0.553 . . . . 10.0 109.508 179.232 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 20.7 mtpp -65.32 -48.47 72.97 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.782 -0.645 . . . . 10.0 110.224 179.32 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . 0.412 ' O ' ' HG ' ' A' ' 35' ' ' LEU . 2.7 m120 -62.35 -25.76 68.08 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.576 -0.738 . . . . 10.0 111.196 -179.646 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 33.4 ttmt -59.47 -29.82 68.09 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.853 0.358 . . . . 10.0 110.964 179.695 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 29.9 m-85 -110.29 -2.2 16.87 Favored 'General case' 0 CA--C 1.531 0.229 0 CA-C-O 120.881 0.372 . . . . 10.0 111.347 -179.229 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 69.4 mt-10 -103.68 -23.32 13.46 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.663 -0.244 . . . . 10.0 111.386 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.412 ' HG ' ' O ' ' A' ' 31' ' ' ASN . 45.6 mt -73.72 154.1 39.77 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.939 0.399 . . . . 10.0 111.279 -179.389 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -86.57 19.85 2.7 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.953 -0.567 . . . . 10.0 111.804 -179.066 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 97.8 m-20 71.22 -41.42 0.5 Allowed 'General case' 0 C--O 1.259 1.593 0 C-N-CA 124.966 1.306 . . . . 0.0 111.033 177.661 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 30.6 p-10 -57.63 -52.51 65.14 Favored 'General case' 0 C--N 1.319 -0.722 0 O-C-N 120.274 -1.516 . . . . 10.0 111.626 -178.576 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -82.44 2.42 32.71 Favored 'General case' 0 C--N 1.331 -0.221 0 N-CA-C 111.9 0.333 . . . . 10.0 111.9 -179.332 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 41.8 tp -66.95 -23.04 65.91 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.162 0.506 . . . . 10.0 109.911 179.292 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -67.8 -49.69 60.99 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.713 -0.676 . . . . 10.0 110.934 179.848 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -73.96 -26.22 21.01 Favored 'Isoleucine or valine' 0 C--O 1.232 0.15 0 CA-C-O 121.018 0.437 . . . . 10.0 110.664 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 45.7 t80 -68.33 -33.09 73.67 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.013 -0.54 . . . . 10.0 110.093 179.054 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 2.2 m-85 -57.11 -52.6 64.65 Favored 'General case' 0 N--CA 1.462 0.161 0 CA-C-N 116.036 -0.529 . . . . 10.0 110.334 179.281 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . 0.541 ' CB ' ' HD2' ' A' ' 8' ' ' LYS . 71.7 m -60.25 -35.59 75.85 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.655 -0.702 . . . . 10.0 111.517 179.804 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -66.02 -44.88 83.42 Favored 'General case' 0 C--O 1.235 0.336 0 CA-C-O 120.941 0.401 . . . . 10.0 110.355 179.499 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -66.68 -46.65 74.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.539 -0.755 . . . . 10.0 110.292 179.299 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 30.4 m-20 -57.43 -47.51 81.58 Favored 'General case' 0 C--O 1.231 0.108 0 CA-C-N 115.902 -0.59 . . . . 10.0 110.568 179.552 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' HIS . . . . . 0.558 ' O ' ' HG2' ' A' ' 53' ' ' GLU . 5.4 t60 -60.77 -52.61 64.38 Favored 'General case' 0 CA--C 1.521 -0.149 0 CA-C-N 116.045 -0.525 . . . . 10.0 110.635 -179.885 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 27.6 tpt180 -59.89 -43.8 94.6 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.245 -0.434 . . . . 10.0 111.458 -178.696 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.561 HD21 ' HG3' ' A' ' 72' ' ' ARG . 53.4 tp -60.56 -43.25 97.46 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 120.548 0.213 . . . . 10.0 111.485 -179.333 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -58.92 -52.62 64.94 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.428 -0.351 . . . . 10.0 111.578 -179.808 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . 0.558 ' HG2' ' O ' ' A' ' 49' ' ' HIS . 5.7 pt-20 -72.86 -24.32 60.85 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.29 -0.414 . . . . 10.0 111.642 -179.027 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 13.7 tp -73.06 -40.5 65.02 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.622 -0.263 . . . . 10.0 110.683 179.897 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 15.7 m -66.03 -38.54 88.65 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.17 0.51 . . . . 10.0 110.518 179.737 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 80.6 mmm -81.82 -17.18 48.37 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.835 -0.621 . . . . 10.0 110.4 179.338 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 54.1 t30 62.99 40.42 9.3 Favored 'General case' 0 N--CA 1.466 0.346 0 CA-C-N 115.578 -0.737 . . . . 10.0 110.638 -179.591 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 21.0 tptp -151.13 124.65 8.96 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.399 -0.819 . . . . 10.0 109.087 -179.704 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 6.0 mp -76.12 130.55 38.46 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 120.918 0.389 . . . . 10.0 111.447 -178.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 68.2 m-85 -125.4 144.7 50.39 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.976 -0.556 . . . . 10.0 110.455 179.711 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . 0.422 ' O ' ' HE1' ' A' ' 49' ' ' HIS . 0.2 OUTLIER -63.55 -59.75 4.23 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 121.134 0.492 . . . . 10.0 110.0 179.18 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 7.3 ttpp -113.42 148.08 36.54 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 107.723 -1.214 . . . . 10.0 107.723 177.466 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 45.0 mm -80.99 120.05 77.72 Favored Pre-proline 0 C--N 1.317 -0.822 0 C-N-CA 120.794 -0.362 . . . . 10.0 110.826 -179.342 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . 0.449 ' O ' HG12 ' A' ' 67' ' ' VAL . 24.6 Cg_exo -62.42 133.84 45.16 Favored 'Trans proline' 0 N--CA 1.465 -0.201 0 C-N-CA 122.409 2.073 . . . . 10.0 111.424 178.805 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -57.57 -28.59 63.7 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 120.92 0.391 . . . . 10.0 111.832 -179.215 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 94.1 p -81.26 -12.47 59.09 Favored 'General case' 0 C--O 1.252 1.205 0 C-N-CA 122.933 0.493 . . . . 0.0 110.982 -178.256 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.449 HG12 ' O ' ' A' ' 64' ' ' PRO . 0.7 OUTLIER -92.82 -10.29 9.6 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.892 0 CA-C-N 119.577 1.08 . . . . 10.0 111.35 -177.622 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' TRP . . . . . 0.402 ' HB2' HG11 ' C' ' 35' ' ' VAL . 22.1 m95 -64.32 -19.71 65.61 Favored 'General case' 0 CA--C 1.531 0.229 0 CA-C-O 121.156 0.503 . . . . 10.0 111.24 -179.921 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 14.9 tptp -74.67 -2.96 28.56 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.141 -0.481 . . . . 10.0 112.023 -178.79 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 62.9 m-85 -107.04 10.87 30.19 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 111.909 0.337 . . . . 10.0 111.909 -179.209 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 1.6 mp -84.26 134.44 26.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-O 120.794 0.33 . . . . 10.0 110.76 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . 0.561 ' HG3' HD21 ' A' ' 51' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--O 1.25 1.091 0 CA-C-O 118.473 -0.775 . . . . 10.0 110.654 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 3.5 pm0 . . . . . 0 C--O 1.232 0.178 0 CA-C-O 120.887 0.375 . . . . 10.0 111.2 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . -62.14 -41.43 98.26 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.171 -0.468 . . . . 10.0 111.585 -179.351 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 5' ' ' LEU . . . . . 0.426 ' HA ' ' HB3' ' B' ' 8' ' ' LEU . 5.2 mp -84.95 0.18 52.15 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.275 -0.421 . . . . 10.0 111.634 -179.113 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 8.1 tttt -76.29 -41.13 49.75 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.898 0.38 . . . . 10.0 110.44 -179.751 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 7' ' ' ILE . . . . . . . . . . . . . 23.0 pt -90.22 -10.55 10.21 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-O 121.089 0.471 . . . . 10.0 110.53 179.475 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 8' ' ' LEU . . . . . 0.426 ' HB3' ' HA ' ' B' ' 5' ' ' LEU . 34.5 tp -82.07 -11.8 58.59 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.376 -0.829 . . . . 10.0 110.398 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 9' ' ' ASN . . . . . . . . . . . . . 65.5 t30 -84.71 5.87 26.51 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.792 -0.64 . . . . 10.0 112.009 -178.77 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 10' ' ' ASN . . . . . 0.47 ' OD1' ' HB2' ' B' ' 12' ' ' ARG . 23.2 t-20 -140.04 136.43 33.66 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 121.133 0.492 . . . . 10.0 111.36 179.863 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 46.6 mt -68.7 -40.42 81.59 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-N 115.458 -0.792 . . . . 10.0 112.229 -178.722 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 12' ' ' ARG . . . . . 0.47 ' HB2' ' OD1' ' B' ' 10' ' ' ASN . 96.6 mtt180 -60.85 -43.95 97.66 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.602 0.239 . . . . 10.0 111.472 -178.544 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 13' ' ' THR . . . . . . . . . . . . . 2.4 p -74.67 -34.03 62.6 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.748 0.309 . . . . 10.0 111.124 179.673 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 14' ' ' LEU . . . . . 0.433 HD21 HD13 ' C' ' 33' ' ' LEU . 8.9 tp -66.73 -39.78 88.12 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.258 -0.428 . . . . 10.0 111.517 -179.713 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 63.6 mtt180 -56.8 -36.39 69.83 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.368 -0.378 . . . . 10.0 110.926 179.905 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 16' ' ' ALA . . . . . . . . . . . . . . . -66.43 -51.9 52.13 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.868 -0.605 . . . . 10.0 111.663 -179.297 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 17' ' ' GLN . . . . . 0.492 ' O ' ' HG2' ' B' ' 20' ' ' GLU . 0.7 OUTLIER -67.79 -24.43 65.31 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.732 -0.213 . . . . 10.0 111.52 -179.058 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -76.22 1.08 16.89 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 112.151 0.426 . . . . 10.0 112.151 -179.543 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 28.5 mmt180 -90.21 -17.19 27.96 Favored 'General case' 0 C--N 1.328 -0.363 0 C-N-CA 121.135 -0.226 . . . . 10.0 111.372 -179.689 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 20' ' ' GLU . . . . . 0.492 ' HG2' ' O ' ' B' ' 17' ' ' GLN . 12.9 pt-20 -93.88 -1.88 54.16 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.245 0.545 . . . . 10.0 110.979 179.878 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 21' ' ' CYS . . . . . 1.391 ' SG ' ' HB ' ' B' ' 25' ' ' THR . 53.8 t -117.28 137.49 52.37 Favored 'General case' 0 CA--C 1.51 -0.585 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.003 178.856 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 1.7 m -73.69 158.16 35.2 Favored 'General case' 0 C--N 1.316 -0.851 0 O-C-N 123.898 0.749 . . . . 10.0 109.959 178.783 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 44.2 tp -53.75 -37.45 63.4 Favored 'General case' 0 C--N 1.333 -0.134 0 CA-C-O 120.735 0.302 . . . . 10.0 110.605 179.831 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 7.4 tp10 -57.46 -48.75 78.34 Favored 'General case' 0 C--O 1.235 0.298 0 CA-C-N 115.745 -0.661 . . . . 10.0 110.809 179.395 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 25' ' ' THR . . . . . 1.391 ' HB ' ' SG ' ' B' ' 21' ' ' CYS . 0.2 OUTLIER -65.54 -38.01 88.37 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.05 -0.523 . . . . 10.0 110.804 -179.93 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 86.7 mt -63.85 -47.88 78.99 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.97 -0.559 . . . . 10.0 110.659 179.912 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 27' ' ' GLU . . . . . 0.496 ' OE1' ' HD3' ' C' ' 41' ' ' ARG . 4.9 tp10 -62.58 -36.69 83.5 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.967 0.413 . . . . 10.0 110.214 179.097 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -65.3 -49.92 67.65 Favored 'General case' 0 C--O 1.234 0.261 0 CA-C-N 115.678 -0.692 . . . . 10.0 110.743 179.839 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 29' ' ' MET . . . . . . . . . . . . . 5.3 ppp? -72.36 -25.44 61.53 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.531 -0.304 . . . . 10.0 111.753 -178.873 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 62.9 tp -64.36 -44.68 90.66 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.919 0.39 . . . . 10.0 110.001 179.325 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 31' ' ' GLU . . . . . 0.426 ' O ' HG22 ' B' ' 35' ' ' VAL . 38.8 mt-10 -64.09 -33.24 75.32 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.843 -0.617 . . . . 10.0 109.717 178.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 39.2 mmtm -62.59 -43.23 99.32 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.611 -0.722 . . . . 10.0 110.456 179.245 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 33' ' ' LEU . . . . . 0.426 ' O ' HG23 ' B' ' 37' ' ' VAL . 43.4 tp -75.5 -38.95 59.12 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.377 -0.374 . . . . 10.0 110.549 179.907 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 3.9 tp10 -55.18 -50.34 69.6 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.195 -0.457 . . . . 10.0 111.201 -179.818 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 35' ' ' VAL . . . . . 0.558 ' O ' ' HG3' ' B' ' 39' ' ' GLU . 12.3 m -63.29 -33.16 59.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 C-N-CA 120.897 -0.321 . . . . 10.0 111.206 -179.895 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 35.1 t -67.8 -44.82 85.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 N-CA-C 109.965 -0.383 . . . . 10.0 109.965 179.376 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 37' ' ' VAL . . . . . 0.426 HG23 ' O ' ' B' ' 33' ' ' LEU . 61.5 t -64.3 -38.34 82.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.413 0 N-CA-C 109.197 -0.668 . . . . 10.0 109.197 178.459 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 29.7 t-20 -61.64 -44.7 96.48 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.582 -0.735 . . . . 10.0 109.713 178.727 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 39' ' ' GLU . . . . . 0.558 ' HG3' ' O ' ' B' ' 35' ' ' VAL . 40.4 mt-10 -62.47 -47.22 84.96 Favored 'General case' 0 C--O 1.232 0.179 0 CA-C-O 121.007 0.432 . . . . 10.0 110.427 179.004 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 40' ' ' ARG . . . . . 0.419 ' HB3' HD13 ' C' ' 23' ' ' LEU . 17.4 mmm-85 -61.09 -48.04 83.54 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.906 -0.588 . . . . 10.0 110.588 179.283 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 41' ' ' ARG . . . . . 0.407 ' HG3' HD11 ' C' ' 23' ' ' LEU . 36.9 mtt180 -61.23 -40.42 93.96 Favored 'General case' 0 C--N 1.333 -0.141 0 CA-C-N 116.368 -0.378 . . . . 10.0 110.89 179.638 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 21.2 tp10 -60.9 -47.85 84.49 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.331 -0.395 . . . . 10.0 110.815 179.88 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 90.5 mt-10 -70.69 -27.07 63.72 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 116.242 -0.435 . . . . 10.0 111.347 -179.876 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 2.3 tp10 -76.76 -32.83 57.99 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.204 -0.453 . . . . 10.0 111.014 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 45' ' ' SER . . . . . . . . . . . . . 4.3 p -83.58 -47.33 11.41 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.402 -0.363 . . . . 10.0 110.854 -179.626 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.322 0 CA-C-O 121.25 0.548 . . . . 10.0 110.729 179.891 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' C' C ' 3' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.15 0 N-CA-C 109.776 -0.453 . . . . 10.0 109.776 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 4' ' ' ALA . . . . . . . . . . . . . . . -72.34 -34.43 68.03 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.739 -0.664 . . . . 10.0 111.333 -179.271 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 5' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -72.16 -19.37 61.77 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.45 -0.341 . . . . 10.0 111.641 -179.56 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 6' ' ' LYS . . . . . . . . . . . . . 22.2 tptm -69.34 -33.12 72.63 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.734 0.302 . . . . 10.0 111.46 -178.936 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 7' ' ' ILE . . . . . . . . . . . . . 29.6 pt -86.49 -10.11 11.18 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 C-N-CA 120.966 -0.293 . . . . 10.0 111.427 -179.439 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 8' ' ' LEU . . . . . . . . . . . . . 2.9 mp -77.82 -20.7 52.73 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.207 0.527 . . . . 10.0 110.266 179.598 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 9' ' ' ASN . . . . . . . . . . . . . 28.1 t-20 -80.84 -15.5 56.21 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.663 0.744 . . . . 10.0 109.664 178.789 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 10' ' ' ASN . . . . . . . . . . . . . 7.4 m-80 -90.66 114.47 26.77 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.218 -0.901 . . . . 10.0 110.466 -179.419 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 11' ' ' ILE . . . . . . . . . . . . . 9.3 tp -63.63 -27.04 42.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-N 115.88 -0.6 . . . . 10.0 111.14 -179.664 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 12' ' ' ARG . . . . . . . . . . . . . 16.6 mmt180 -65.97 -42.89 89.32 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.152 -0.476 . . . . 10.0 111.496 -179.374 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 13' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -82.11 -35.33 28.67 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 120.854 0.359 . . . . 10.0 110.899 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 14' ' ' LEU . . . . . . . . . . . . . 10.2 tp -62.58 -37.92 88.1 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.952 0.406 . . . . 10.0 110.451 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 15' ' ' ARG . . . . . . . . . . . . . 16.3 mtt180 -67.78 -15.67 63.75 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.088 -0.505 . . . . 10.0 111.262 179.476 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 16' ' ' ALA . . . . . . . . . . . . . . . -98.33 -39.52 8.77 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.921 0.391 . . . . 10.0 110.912 179.909 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 17' ' ' GLN . . . . . . . . . . . . . 20.9 mm-40 -64.91 -35.89 82.61 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.002 -0.545 . . . . 10.0 111.121 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 18' ' ' ALA . . . . . . . . . . . . . . . -74.72 10.26 1.47 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.105 -0.498 . . . . 10.0 112.127 -179.355 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 19' ' ' ARG . . . . . . . . . . . . . 61.1 mtt-85 -102.02 -16.48 16.45 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.373 0.606 . . . . 10.0 109.952 179.439 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 20' ' ' GLU . . . . . . . . . . . . . 29.5 tt0 -93.01 -23.15 18.77 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.673 -0.694 . . . . 10.0 110.392 -179.826 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 21' ' ' CYS . . . . . . . . . . . . . 74.1 m -97.94 144.37 27.56 Favored 'General case' 0 CA--C 1.51 -0.56 0 CA-C-O 121.442 0.639 . . . . 0.0 111.058 -179.445 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 22' ' ' THR . . . . . . . . . . . . . 2.0 m -72.52 147.93 45.51 Favored 'General case' 0 C--O 1.238 0.482 0 CA-C-N 115.991 -0.549 . . . . 10.0 110.289 178.016 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 23' ' ' LEU . . . . . 0.419 HD13 ' HB3' ' B' ' 40' ' ' ARG . 46.0 tp -58.06 -38.05 75.59 Favored 'General case' 0 C--N 1.333 -0.145 0 O-C-N 123.136 0.273 . . . . 10.0 111.223 179.809 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 24' ' ' GLU . . . . . . . . . . . . . 40.5 tt0 -58.2 -48.99 78.62 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.831 0.348 . . . . 10.0 110.967 -179.876 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 25' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -64.99 -36.83 85.66 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.112 -0.495 . . . . 10.0 110.865 179.763 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 26' ' ' LEU . . . . . . . . . . . . . 20.8 mt -62.07 -41.48 98.2 Favored 'General case' 0 N--CA 1.463 0.219 0 CA-C-N 115.88 -0.6 . . . . 10.0 110.216 179.366 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 27' ' ' GLU . . . . . . . . . . . . . 25.7 tt0 -65.1 -48.06 75.0 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.087 -0.506 . . . . 10.0 110.571 179.348 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 28' ' ' GLU . . . . . . . . . . . . . 7.5 tt0 -57.29 -46.28 83.3 Favored 'General case' 0 C--O 1.234 0.267 0 CA-C-N 116.138 -0.483 . . . . 10.0 111.354 -179.128 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 29' ' ' MET . . . . . 0.416 ' SD ' HD23 ' B' ' 5' ' ' LEU . 19.2 ptp -75.83 -25.15 56.01 Favored 'General case' 0 C--N 1.326 -0.427 0 C-N-CA 120.743 -0.383 . . . . 10.0 111.667 -179.54 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 30' ' ' LEU . . . . . . . . . . . . . 26.3 tp -64.53 -44.92 89.34 Favored 'General case' 0 CA--C 1.52 -0.182 0 N-CA-C 109.541 -0.54 . . . . 10.0 109.541 179.088 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 31' ' ' GLU . . . . . . . . . . . . . 68.8 mt-10 -64.03 -31.38 72.55 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.773 -0.648 . . . . 10.0 109.911 179.233 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 32' ' ' LYS . . . . . 0.473 ' O ' HG23 ' C' ' 36' ' ' VAL . 86.3 mttt -70.96 -36.4 72.55 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.877 -0.601 . . . . 10.0 110.533 179.358 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 33' ' ' LEU . . . . . 0.443 ' O ' HG23 ' C' ' 37' ' ' VAL . 53.7 tp -73.41 -37.68 65.83 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 109.835 -0.431 . . . . 10.0 109.835 178.776 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 34' ' ' GLU . . . . . . . . . . . . . 15.5 tp10 -53.4 -49.48 67.18 Favored 'General case' 0 C--O 1.234 0.259 0 CA-C-N 115.47 -0.786 . . . . 10.0 111.02 179.791 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 35' ' ' VAL . . . . . 0.477 ' O ' ' HG3' ' C' ' 39' ' ' GLU . 16.1 m -68.11 -34.36 66.2 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 C-N-CA 120.886 -0.325 . . . . 10.0 111.379 -179.429 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 36' ' ' VAL . . . . . 0.473 HG23 ' O ' ' C' ' 32' ' ' LYS . 65.7 t -62.62 -46.55 96.12 Favored 'Isoleucine or valine' 0 C--O 1.233 0.187 0 N-CA-C 109.586 -0.524 . . . . 10.0 109.586 179.139 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 37' ' ' VAL . . . . . 0.443 HG23 ' O ' ' C' ' 33' ' ' LEU . 43.4 t -64.69 -39.54 85.98 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.267 0 N-CA-C 109.365 -0.606 . . . . 10.0 109.365 178.738 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 38' ' ' ASN . . . . . . . . . . . . . 1.1 t30 -59.52 -45.82 90.64 Favored 'General case' 0 C--O 1.234 0.237 0 CA-C-N 115.926 -0.579 . . . . 10.0 110.352 179.317 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 39' ' ' GLU . . . . . 0.477 ' HG3' ' O ' ' C' ' 35' ' ' VAL . 31.0 mt-10 -57.93 -42.16 84.24 Favored 'General case' 0 C--N 1.333 -0.136 0 CA-C-O 121.393 0.616 . . . . 10.0 109.417 178.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 40' ' ' ARG . . . . . . . . . . . . . 7.1 mmm180 -65.73 -38.81 90.16 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.038 -0.983 . . . . 10.0 110.337 179.229 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 41' ' ' ARG . . . . . 0.496 ' HD3' ' OE1' ' B' ' 27' ' ' GLU . 8.2 mmm180 -61.2 -42.94 99.48 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.811 -0.631 . . . . 10.0 109.618 178.631 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 42' ' ' GLU . . . . . . . . . . . . . 18.8 mt-10 -62.29 -43.94 97.66 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.428 -0.805 . . . . 10.0 111.159 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 43' ' ' GLU . . . . . . . . . . . . . 60.5 mt-10 -60.42 -52.29 65.87 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.241 -0.436 . . . . 10.0 111.244 -179.698 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 44' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.477 0 CA-C-N 116.295 -0.411 . . . . 10.0 111.122 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.699 ' N ' ' HH ' ' A' ' 11' ' ' TYR . 4.5 mp . . . . . 0 N--CA 1.479 0.98 0 N-CA-C 109.956 -0.387 . . . . 10.0 109.956 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -85.07 159.2 20.24 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 120.874 0.369 . . . . 10.0 111.199 -179.339 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 66.8 tttt -59.84 -33.9 72.39 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.734 -0.666 . . . . 10.0 110.783 179.597 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -59.71 -41.46 90.87 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.402 -0.817 . . . . 10.0 111.506 179.872 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -60.98 -50.33 73.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.973 -0.558 . . . . 10.0 110.879 -179.858 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . 0.699 ' HH ' ' N ' ' A' ' 6' ' ' LEU . 18.2 m-85 -64.54 -37.75 88.62 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.889 -0.596 . . . . 10.0 110.44 -179.8 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 38.9 tp -61.04 -40.96 95.61 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.896 -0.593 . . . . 10.0 110.694 -179.802 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 18.5 mmt -70.12 -36.94 75.17 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.981 0.419 . . . . 10.0 110.297 179.594 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.59 -34.58 78.56 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.995 -0.548 . . . . 10.0 110.521 179.65 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 52.7 mt -91.13 -11.62 37.98 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.383 -0.371 . . . . 10.0 111.606 -179.677 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -68.84 -21.64 64.27 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.068 0.461 . . . . 10.0 110.889 -179.934 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . 0.444 HH11 ' HD3' ' A' ' 17' ' ' ARG . 18.5 mtm180 -89.34 -0.76 57.72 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.106 -0.497 . . . . 10.0 110.93 -179.75 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 26.7 m -97.34 131.17 44.27 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 120.797 0.332 . . . . 10.0 110.35 -179.78 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . 0.418 ' C ' ' H ' ' A' ' 21' ' ' ILE . 7.2 mm-40 -129.02 -175.93 3.71 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.013 -0.54 . . . . 10.0 110.642 -179.81 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . 0.404 ' O ' ' HB ' ' A' ' 21' ' ' ILE . 7.6 m 73.98 -18.06 0.42 Allowed 'General case' 0 CA--C 1.534 0.357 0 O-C-N 123.685 0.616 . . . . 10.0 111.521 179.257 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.418 ' H ' ' C ' ' A' ' 19' ' ' GLN . 75.7 mt 73.48 -44.57 0.14 Allowed 'Isoleucine or valine' 0 N--CA 1.469 0.506 0 C-N-CA 123.345 0.658 . . . . 10.0 111.463 179.674 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -55.18 -40.62 70.91 Favored 'General case' 0 N--CA 1.466 0.361 0 C-N-CA 122.884 0.474 . . . . 10.0 110.866 179.797 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 2.1 m -72.78 -33.66 66.44 Favored 'General case' 0 CA--C 1.533 0.304 0 CA-C-N 115.83 -0.623 . . . . 10.0 110.907 179.358 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.426 ' O ' HG12 ' A' ' 28' ' ' ILE . 16.6 tp -68.79 -40.06 79.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.963 -0.562 . . . . 10.0 110.004 179.598 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 3.8 tp10 -63.87 -22.83 67.1 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.492 -0.776 . . . . 10.0 110.955 179.761 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 73.7 mtt85 -92.12 -40.67 10.91 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.501 -0.318 . . . . 10.0 111.799 -179.503 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 6.5 p -64.19 -34.17 67.2 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.32 0 CA-C-N 116.555 -0.293 . . . . 10.0 111.675 -179.256 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.426 HG12 ' O ' ' A' ' 24' ' ' LEU . 23.3 pt -77.0 -27.86 16.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 C-N-CA 121.086 -0.246 . . . . 10.0 111.111 179.846 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 53.1 tp10 -73.42 -44.55 58.07 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.052 0.453 . . . . 10.0 110.037 179.67 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 23.2 mtpp -67.84 -41.98 82.12 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.841 -0.618 . . . . 10.0 110.583 179.696 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 59.6 t30 -68.73 -23.16 64.31 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.901 -0.591 . . . . 10.0 111.234 -179.485 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 28.0 ttmt -59.53 -33.14 71.02 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.385 -0.37 . . . . 10.0 111.234 -179.562 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 12.7 m-85 -94.77 5.21 52.53 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.603 0.24 . . . . 10.0 111.318 -179.217 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 30.0 mt-10 -111.22 -21.14 12.05 Favored 'General case' 0 C--N 1.324 -0.521 0 C-N-CA 121.008 -0.277 . . . . 10.0 111.451 -179.241 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 84.1 mt -77.33 169.59 18.04 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.936 0.398 . . . . 10.0 111.315 -179.41 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . 0.515 ' O ' ' HB2' ' A' ' 37' ' ' ASP . 1.4 m -84.3 -9.66 58.29 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.156 -0.475 . . . . 10.0 110.748 -179.105 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . 0.515 ' HB2' ' O ' ' A' ' 36' ' ' SER . 97.0 m-20 79.67 -22.88 0.26 Allowed 'General case' 0 C--O 1.252 1.187 0 C-N-CA 123.981 0.913 . . . . 0.0 110.983 177.552 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 1.1 p-10 -80.69 -27.79 36.93 Favored 'General case' 0 C--N 1.33 -0.248 0 O-C-N 120.775 -1.203 . . . . 10.0 110.588 179.436 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -102.59 3.74 37.64 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 121.293 0.568 . . . . 10.0 110.082 179.635 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 25.0 tp -66.6 -20.26 65.96 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.292 -0.867 . . . . 10.0 110.338 179.49 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -59.97 -42.81 94.95 Favored 'General case' 0 CA--C 1.53 0.176 0 CA-C-N 115.804 -0.635 . . . . 10.0 111.614 -179.858 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.413 HG23 ' HE2' ' A' ' 11' ' ' TYR . 4.7 m -82.17 -21.29 9.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 C-N-CA 120.927 -0.309 . . . . 10.0 110.83 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 75.5 t80 -67.95 -41.2 82.86 Favored 'General case' 0 C--N 1.33 -0.271 0 N-CA-C 109.478 -0.564 . . . . 10.0 109.478 179.119 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 2.9 m-85 -64.9 -34.19 77.81 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.846 -0.615 . . . . 10.0 110.08 178.806 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 1.6 t -64.88 -28.63 69.67 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.864 -0.607 . . . . 10.0 110.114 179.119 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -82.22 -43.98 16.94 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.89 -0.595 . . . . 10.0 109.982 178.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -60.06 -50.56 73.23 Favored 'General case' 0 C--N 1.333 -0.116 0 CA-C-N 115.848 -0.614 . . . . 10.0 110.945 179.901 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . 0.43 ' OD2' ' HA ' ' B' ' 10' ' ' ASN . 65.3 m-20 -57.84 -51.68 68.61 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.634 -0.712 . . . . 10.0 110.361 179.632 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' HIS . . . . . 0.446 ' CE1' HG12 ' A' ' 63' ' ' ILE . 4.6 t60 -58.46 -43.08 88.71 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.316 -0.856 . . . . 10.0 111.667 -179.123 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 30.3 tpt180 -66.58 -41.32 88.73 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.599 -0.273 . . . . 10.0 110.957 -179.614 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 31.5 tp -66.26 -38.3 87.49 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.846 0.355 . . . . 10.0 110.842 -179.797 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -58.59 -54.16 50.21 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.06 -0.518 . . . . 10.0 111.662 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -71.01 -30.79 67.12 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.262 -0.426 . . . . 10.0 111.466 -179.068 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 7.8 tp -66.65 -38.56 87.14 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.658 0.266 . . . . 10.0 111.143 -179.647 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 16.3 m -68.52 -33.57 74.35 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 116.407 -0.361 . . . . 10.0 110.344 179.834 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 1.5 tmm? -86.42 -9.39 56.38 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.384 -0.371 . . . . 10.0 110.968 179.863 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 38.2 t30 62.81 33.51 15.21 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.607 -0.724 . . . . 10.0 111.296 179.788 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 7.9 tptp -151.57 126.36 9.64 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.564 -0.289 . . . . 10.0 110.27 -179.913 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 8.7 mp -70.22 121.77 18.21 Favored 'General case' 0 C--O 1.236 0.377 0 CA-C-O 120.823 0.344 . . . . 10.0 111.007 -179.448 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 29.0 m-85 -126.62 121.26 31.67 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.908 -0.587 . . . . 10.0 111.24 -179.315 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 15.2 m-20 -65.68 -39.19 91.03 Favored 'General case' 0 C--N 1.33 -0.244 0 N-CA-C 108.931 -0.766 . . . . 10.0 108.931 178.552 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 23.8 mttt -112.32 138.35 49.17 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 108.174 -1.047 . . . . 10.0 108.174 178.161 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.446 HG12 ' CE1' ' A' ' 49' ' ' HIS . 50.0 mm -102.66 121.43 49.64 Favored Pre-proline 0 C--N 1.319 -0.728 0 C-N-CA 120.88 -0.328 . . . . 10.0 111.556 -178.851 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . 0.441 ' HD3' ' HA ' ' A' ' 63' ' ' ILE . 4.7 Cg_exo -75.73 119.29 5.38 Favored 'Trans proline' 0 N--CA 1.455 -0.748 0 C-N-CA 122.126 1.884 . . . . 10.0 109.683 177.089 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -42.15 -37.4 1.43 Allowed 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 113.286 0.847 . . . . 10.0 113.286 -178.867 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 88.6 p -58.73 -29.3 66.6 Favored 'General case' 0 C--O 1.255 1.371 0 O-C-N 121.466 -0.771 . . . . 0.0 110.968 -177.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.407 HG12 ' O ' ' A' ' 64' ' ' PRO . 1.8 p -74.67 -22.09 17.33 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.817 0 CA-C-N 119.124 0.874 . . . . 10.0 112.247 -176.703 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' TRP . . . . . 0.863 ' HB2' HG11 ' C' ' 35' ' ' VAL . 39.3 m95 -64.91 -16.56 63.42 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 112.293 0.479 . . . . 10.0 112.293 -178.471 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 4.3 tppp? -73.14 -10.19 59.52 Favored 'General case' 0 CA--C 1.535 0.375 0 CA-C-O 121.323 0.582 . . . . 10.0 110.397 179.808 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 72.7 m-85 -107.46 2.2 24.06 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.142 -0.481 . . . . 10.0 111.343 -179.496 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 2.9 mp -120.52 127.76 75.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 120.871 0.367 . . . . 10.0 111.637 -179.206 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . 0.519 ' HA ' ' NH2' ' B' ' 15' ' ' ARG . 15.0 mmt85 . . . . . 0 C--O 1.244 0.797 0 CA-C-O 118.23 -0.89 . . . . 10.0 110.288 179.475 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.259 0 CA-C-O 121.004 0.431 . . . . 10.0 110.336 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . -74.69 -45.97 40.86 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.067 -0.515 . . . . 10.0 110.76 179.912 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 10.8 mp -65.64 -19.61 65.98 Favored 'General case' 0 N--CA 1.464 0.273 0 CA-C-O 121.147 0.499 . . . . 10.0 111.074 -179.528 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 21.4 tttm -64.38 -40.89 96.72 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.609 -0.723 . . . . 10.0 111.334 -179.892 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 7' ' ' ILE . . . . . 0.49 HG13 ' H ' ' B' ' 7' ' ' ILE . 1.1 pp -101.91 -10.68 9.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-O 120.762 0.315 . . . . 10.0 111.828 -179.221 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -85.19 -10.14 56.99 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 116.464 -0.334 . . . . 10.0 111.702 -179.037 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 9' ' ' ASN . . . . . . . . . . . . . 38.1 t30 -99.86 26.33 6.42 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.122 0.487 . . . . 10.0 111.296 -179.097 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 10' ' ' ASN . . . . . 0.492 ' OD1' ' HB2' ' B' ' 12' ' ' ARG . 5.0 t-20 -140.14 126.09 19.6 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.228 -0.442 . . . . 10.0 110.515 179.693 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 11' ' ' ILE . . . . . 0.434 HD12 ' NH2' ' B' ' 15' ' ' ARG . 11.2 pt -63.82 -26.33 40.36 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.184 0 CA-C-N 116.226 -0.443 . . . . 10.0 112.062 -179.506 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 12' ' ' ARG . . . . . 0.492 ' HB2' ' OD1' ' B' ' 10' ' ' ASN . 22.6 mmt85 -66.55 -53.59 33.1 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.501 -0.318 . . . . 10.0 111.092 -179.259 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 13' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -71.34 -38.95 71.62 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.39 -0.368 . . . . 10.0 111.753 -179.838 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 15.9 tp -60.5 -42.35 96.2 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.219 -0.446 . . . . 10.0 111.594 -179.4 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 15' ' ' ARG . . . . . 0.531 ' HD3' ' OE1' ' C' ' 39' ' ' GLU . 14.1 mtm180 -72.56 -12.11 60.93 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 111.663 0.245 . . . . 10.0 111.663 -179.213 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 16' ' ' ALA . . . . . . . . . . . . . . . -95.65 -42.55 8.34 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.211 0.529 . . . . 10.0 110.777 179.543 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 17' ' ' GLN . . . . . 0.439 ' O ' ' HG2' ' B' ' 20' ' ' GLU . 9.6 tp60 -71.96 -30.39 65.24 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.724 -0.671 . . . . 10.0 111.283 -179.54 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -76.47 0.04 21.23 Favored 'General case' 0 C--N 1.33 -0.255 0 N-CA-C 112.23 0.456 . . . . 10.0 112.23 -179.295 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 13.4 mmm180 -76.43 -15.64 59.88 Favored 'General case' 0 C--N 1.331 -0.225 0 C-N-CA 121.074 -0.25 . . . . 10.0 111.267 -179.602 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 20' ' ' GLU . . . . . 0.439 ' HG2' ' O ' ' B' ' 17' ' ' GLN . 12.9 pt-20 -90.18 7.38 38.32 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.907 0.384 . . . . 10.0 110.841 179.796 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 21' ' ' CYS . . . . . 1.397 ' SG ' ' HB ' ' B' ' 25' ' ' THR . 53.8 t -122.73 138.72 54.53 Favored 'General case' 0 CA--C 1.511 -0.548 0 CA-C-N 116.54 -0.3 . . . . 0.0 110.994 178.814 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -74.72 166.32 23.77 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 116.243 -0.435 . . . . 10.0 110.069 178.586 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 55.8 tp -55.95 -40.34 73.05 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.497 0.189 . . . . 10.0 110.823 179.76 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 24' ' ' GLU . . . . . 0.466 ' O ' ' HB2' ' B' ' 28' ' ' GLU . 0.7 OUTLIER -57.68 -51.61 68.84 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.169 -0.469 . . . . 10.0 111.268 179.681 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 25' ' ' THR . . . . . 1.397 ' HB ' ' SG ' ' B' ' 21' ' ' CYS . 0.1 OUTLIER -63.12 -36.0 82.15 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.98 -0.555 . . . . 10.0 111.327 -179.365 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 26' ' ' LEU . . . . . 0.449 ' O ' ' HG3' ' B' ' 29' ' ' MET . 70.0 mt -70.28 -44.17 68.94 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.557 -0.292 . . . . 10.0 111.019 -179.834 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 27' ' ' GLU . . . . . 0.585 ' OE2' ' HD3' ' C' ' 41' ' ' ARG . 96.9 mt-10 -66.9 -36.28 81.92 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.216 0.532 . . . . 10.0 109.8 179.01 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 28' ' ' GLU . . . . . 0.466 ' HB2' ' O ' ' B' ' 24' ' ' GLU . 1.2 tm-20 -61.62 -46.18 90.91 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 114.998 -1.001 . . . . 10.0 111.094 -179.876 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 29' ' ' MET . . . . . 0.449 ' HG3' ' O ' ' B' ' 26' ' ' LEU . 4.8 ppp? -77.04 -23.8 52.05 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.463 -0.335 . . . . 10.0 111.875 -179.251 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 63.2 tp -61.43 -51.62 67.98 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 120.75 0.309 . . . . 10.0 111.143 -179.741 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 15.2 mt-10 -63.71 -27.24 69.07 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.261 -0.427 . . . . 10.0 110.832 -179.873 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 32' ' ' LYS . . . . . 0.419 ' O ' HG23 ' B' ' 36' ' ' VAL . 45.6 mttm -64.56 -46.38 83.06 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.267 -0.424 . . . . 10.0 110.304 179.299 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 32.2 tp -75.37 -32.77 60.93 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.8 0.333 . . . . 10.0 110.492 -179.862 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -57.3 -47.56 81.18 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.978 -0.555 . . . . 10.0 110.786 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 35' ' ' VAL . . . . . . . . . . . . . 34.0 m -66.65 -33.63 64.72 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.166 0 C-N-CA 120.929 -0.309 . . . . 10.0 110.938 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 36' ' ' VAL . . . . . 0.419 HG23 ' O ' ' B' ' 32' ' ' LYS . 74.9 t -64.35 -53.02 48.16 Favored 'Isoleucine or valine' 0 C--O 1.232 0.16 0 CA-C-O 120.746 0.308 . . . . 10.0 110.203 179.183 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 48.1 t -62.83 -36.2 74.45 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-N 116.212 -0.449 . . . . 10.0 109.903 179.37 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 23.2 t30 -59.81 -51.56 69.22 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.903 -0.59 . . . . 10.0 110.078 178.691 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 92.3 mt-10 -60.07 -47.52 85.55 Favored 'General case' 0 CA--C 1.517 -0.291 0 CA-C-N 115.826 -0.625 . . . . 10.0 110.556 179.586 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 28.3 mmm-85 -58.62 -40.71 84.08 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.065 -0.516 . . . . 10.0 110.023 179.173 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 41' ' ' ARG . . . . . 0.407 ' HG2' HD21 ' C' ' 23' ' ' LEU . 74.1 mtt180 -58.91 -52.78 64.26 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.803 -0.635 . . . . 10.0 109.945 178.906 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 1.5 tp10 -58.17 -47.46 83.31 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.941 -0.572 . . . . 10.0 111.199 -179.662 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 61.2 mt-10 -59.6 -45.77 90.93 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.162 -0.472 . . . . 10.0 111.362 -179.363 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 47.5 mt-10 -81.71 6.72 14.44 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.927 0.394 . . . . 10.0 111.775 -179.331 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 45' ' ' SER . . . . . . . . . . . . . 71.1 m -115.16 -29.54 6.59 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.942 0.401 . . . . 10.0 109.963 178.163 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 115.887 -0.597 . . . . 10.0 110.604 179.205 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' C' C ' 3' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.176 0 CA-C-O 120.932 0.396 . . . . 10.0 110.647 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 4' ' ' ALA . . . . . . . . . . . . . . . -63.06 -39.77 95.7 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.188 0.518 . . . . 10.0 110.669 -179.804 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 5' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -79.12 -3.67 46.62 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.854 -0.612 . . . . 10.0 110.725 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 6' ' ' LYS . . . . . . . . . . . . . 23.3 tptm -85.68 -53.86 4.89 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.236 -0.438 . . . . 10.0 110.179 179.837 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 7' ' ' ILE . . . . . . . . . . . . . 9.7 pt -68.49 -24.76 29.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-N 115.942 -0.572 . . . . 10.0 111.743 -179.703 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 8' ' ' LEU . . . . . . . . . . . . . 3.9 mp -73.96 -10.8 60.01 Favored 'General case' 0 CA--C 1.532 0.254 0 CA-C-O 120.83 0.347 . . . . 10.0 111.478 179.893 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 9' ' ' ASN . . . . . . . . . . . . . 7.0 t-20 -89.43 2.93 53.81 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.22 0.534 . . . . 10.0 109.712 179.26 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 10' ' ' ASN . . . . . 0.524 ' HB3' ' OG1' ' C' ' 13' ' ' THR . 58.2 t-20 -118.33 119.67 35.33 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.938 -0.574 . . . . 10.0 110.051 179.69 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 11' ' ' ILE . . . . . . . . . . . . . 10.0 tp -64.4 -28.34 44.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 115.904 -0.589 . . . . 10.0 111.927 -179.079 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 12' ' ' ARG . . . . . . . . . . . . . 40.3 mmt180 -65.77 -51.04 62.38 Favored 'General case' 0 C--O 1.234 0.25 0 CA-C-O 120.748 0.309 . . . . 10.0 110.797 -179.424 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 13' ' ' THR . . . . . 0.524 ' OG1' ' HB3' ' C' ' 10' ' ' ASN . 0.3 OUTLIER -71.77 -35.93 70.2 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.016 -0.538 . . . . 10.0 110.713 179.887 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' C' C ' 14' ' ' LEU . . . . . . . . . . . . . 15.7 tp -59.66 -44.82 93.41 Favored 'General case' 0 N--CA 1.456 -0.167 0 CA-C-N 115.838 -0.619 . . . . 10.0 110.638 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 15' ' ' ARG . . . . . . . . . . . . . 15.1 mtt85 -66.43 -27.97 68.24 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.5 -0.318 . . . . 10.0 111.149 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 16' ' ' ALA . . . . . . . . . . . . . . . -79.15 -48.46 14.24 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.339 -0.391 . . . . 10.0 111.369 -179.563 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 17' ' ' GLN . . . . . . . . . . . . . 50.4 tt0 -66.89 -36.82 83.16 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.26 -0.427 . . . . 10.0 111.394 -179.387 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 18' ' ' ALA . . . . . . . . . . . . . . . -67.72 -20.93 65.32 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.857 0.36 . . . . 10.0 111.527 -179.834 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 19' ' ' ARG . . . . . . . . . . . . . 53.0 mtt180 -80.74 -1.69 43.82 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.842 0.354 . . . . 10.0 111.237 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 20' ' ' GLU . . . . . . . . . . . . . 24.9 mt-10 -96.14 18.14 14.21 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.102 0.477 . . . . 10.0 110.687 179.9 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 21' ' ' CYS . . . . . 0.454 ' SG ' HD21 ' C' ' 26' ' ' LEU . 29.5 p -153.57 162.64 41.07 Favored 'General case' 0 C--N 1.318 -0.777 0 C-N-CA 123.533 0.733 . . . . 0.0 110.939 178.868 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 22' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -79.89 166.71 21.39 Favored 'General case' 0 C--N 1.318 -0.778 0 O-C-N 123.832 0.707 . . . . 10.0 111.083 179.254 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 23' ' ' LEU . . . . . 0.407 HD21 ' HG2' ' B' ' 41' ' ' ARG . 46.1 tp -60.47 -37.22 80.32 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.053 -0.521 . . . . 10.0 110.405 -179.833 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 24' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -52.59 -50.6 62.69 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.159 -0.928 . . . . 10.0 112.007 -179.881 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 25' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -67.78 -37.45 82.08 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.865 0.364 . . . . 10.0 111.371 -179.282 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 26' ' ' LEU . . . . . 0.454 HD21 ' SG ' ' C' ' 21' ' ' CYS . 46.1 mt -69.1 -29.42 67.5 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.086 0.469 . . . . 10.0 110.781 -179.847 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 27' ' ' GLU . . . . . . . . . . . . . 5.7 tt0 -68.24 -55.75 11.13 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.638 -0.71 . . . . 10.0 111.648 -179.336 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 28' ' ' GLU . . . . . . . . . . . . . 5.4 tt0 -65.79 -16.92 64.24 Favored 'General case' 0 N--CA 1.464 0.241 0 CA-C-O 120.723 0.297 . . . . 10.0 111.42 -178.814 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 29' ' ' MET . . . . . . . . . . . . . 3.4 ptp -87.69 -24.58 23.83 Favored 'General case' 0 C--N 1.326 -0.436 0 C-N-CA 120.315 -0.554 . . . . 10.0 109.993 178.819 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 30' ' ' LEU . . . . . . . . . . . . . 15.0 tp -75.86 -47.28 26.17 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.315 -0.402 . . . . 10.0 110.354 179.733 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 31' ' ' GLU . . . . . . . . . . . . . 7.7 pt-20 -57.9 -37.43 74.01 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.961 -0.563 . . . . 10.0 110.891 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 32' ' ' LYS . . . . . 0.552 ' O ' HG23 ' C' ' 36' ' ' VAL . 86.0 mttt -74.73 -28.06 60.63 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.281 -0.418 . . . . 10.0 111.183 179.893 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 33' ' ' LEU . . . . . . . . . . . . . 32.2 tp -77.85 -47.57 18.49 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 111.752 0.279 . . . . 10.0 111.752 -179.163 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 34' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -60.35 -35.13 74.95 Favored 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 112.158 0.429 . . . . 10.0 112.158 -178.421 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 35' ' ' VAL . . . . . 0.863 HG11 ' HB2' ' A' ' 68' ' ' TRP . 33.8 m -72.77 -33.51 44.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 C-N-CA 120.946 -0.301 . . . . 10.0 111.512 -179.852 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 36' ' ' VAL . . . . . 0.552 HG23 ' O ' ' C' ' 32' ' ' LYS . 59.7 t -63.12 -40.64 89.79 Favored 'Isoleucine or valine' 0 C--O 1.233 0.2 0 N-CA-C 108.851 -0.796 . . . . 10.0 108.851 178.621 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 37' ' ' VAL . . . . . . . . . . . . . 44.9 t -67.93 -39.06 81.03 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 115.391 -0.822 . . . . 10.0 109.218 178.326 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 38' ' ' ASN . . . . . 0.602 ' O ' ' HB2' ' C' ' 41' ' ' ARG . 4.6 t-20 -63.57 -39.3 94.04 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.662 -0.699 . . . . 10.0 110.717 179.857 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 39' ' ' GLU . . . . . 0.531 ' OE1' ' HD3' ' B' ' 15' ' ' ARG . 37.8 mt-10 -66.66 -39.76 88.34 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.057 0.456 . . . . 10.0 110.058 179.159 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 40' ' ' ARG . . . . . . . . . . . . . 10.3 mmm180 -65.61 -25.63 67.47 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.998 -0.546 . . . . 10.0 109.567 178.615 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 41' ' ' ARG . . . . . 0.602 ' HB2' ' O ' ' C' ' 38' ' ' ASN . 5.2 mmm-85 -64.7 -60.55 2.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.191 -0.913 . . . . 10.0 110.58 179.7 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 42' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -59.49 -33.78 71.76 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.206 0.527 . . . . 10.0 110.312 179.76 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 43' ' ' GLU . . . . . . . . . . . . . 30.9 tt0 -62.0 -45.66 92.65 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.603 -0.726 . . . . 10.0 110.576 179.39 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 44' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.128 -0.487 . . . . 10.0 111.117 -179.557 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.525 ' HB2' ' CZ ' ' A' ' 11' ' ' TYR . 18.1 mt . . . . . 0 N--CA 1.479 0.997 0 CA-C-O 120.821 0.343 . . . . 10.0 110.315 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -68.77 155.23 40.54 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.944 -0.571 . . . . 10.0 111.116 179.799 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 24.9 tttt -58.36 -40.17 81.54 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.099 -0.5 . . . . 10.0 110.94 -179.902 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . 0.4 ' O ' ' HG2' ' A' ' 13' ' ' MET . 0.0 OUTLIER -69.44 -28.29 65.99 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.916 -0.584 . . . . 10.0 111.618 179.624 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -64.14 -50.44 68.22 Favored 'General case' 0 N--CA 1.464 0.246 0 CA-C-O 121.044 0.449 . . . . 10.0 110.857 -179.606 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . 0.525 ' CZ ' ' HB2' ' A' ' 6' ' ' LEU . 46.6 m-85 -65.13 -35.72 81.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.801 -0.636 . . . . 10.0 109.862 179.642 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 60.9 tp -59.88 -42.72 94.4 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.798 -0.637 . . . . 10.0 110.752 179.471 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' MET . . . . . 0.4 ' HG2' ' O ' ' A' ' 9' ' ' THR . 84.2 mmm -67.57 -39.85 84.89 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.233 -0.439 . . . . 10.0 110.86 -179.889 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.33 -37.69 83.71 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.023 0.44 . . . . 10.0 110.52 179.591 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 97.8 mt -78.23 -15.72 58.52 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.306 -0.407 . . . . 10.0 111.257 -179.413 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . 0.507 ' HA ' ' NE ' ' A' ' 50' ' ' ARG . 55.3 mtt180 -77.1 -6.94 54.74 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.143 0.497 . . . . 10.0 110.318 179.243 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . 0.401 HH11 ' HD3' ' A' ' 17' ' ' ARG . 11.2 mmm-85 -84.41 -13.44 52.18 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.726 -0.67 . . . . 10.0 109.209 178.477 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 6.2 m -90.12 138.63 31.36 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.322 -0.854 . . . . 10.0 110.066 179.432 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 3.8 mm-40 -130.28 178.27 6.71 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.438 -0.347 . . . . 10.0 110.477 -179.435 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER 64.0 0.32 0.95 Allowed 'General case' 0 N--CA 1.47 0.54 0 N-CA-C 113.172 0.804 . . . . 10.0 113.172 178.671 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 68.3 mt 71.79 -43.54 0.13 Allowed 'Isoleucine or valine' 0 N--CA 1.471 0.588 0 C-N-CA 122.964 0.506 . . . . 10.0 111.414 -179.337 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 8.1 t70 -53.86 -47.86 70.59 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 111.858 0.318 . . . . 10.0 111.858 -179.821 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -59.45 -39.82 84.83 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.993 0.425 . . . . 10.0 110.347 179.562 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.529 ' O ' HG12 ' A' ' 28' ' ' ILE . 24.9 tp -66.65 -44.48 81.8 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.74 -0.664 . . . . 10.0 109.797 179.508 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 8.1 tp10 -56.79 -41.34 77.54 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.531 -0.758 . . . . 10.0 111.305 179.887 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 3.3 mtt180 -79.29 -38.11 36.17 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.946 -0.57 . . . . 10.0 112.257 -178.871 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.503 HG12 ' HA ' ' A' ' 24' ' ' LEU . 4.4 p -69.1 -34.91 66.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 N-CA-C 112.146 0.424 . . . . 10.0 112.146 -178.519 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.529 HG12 ' O ' ' A' ' 24' ' ' LEU . 45.8 pt -74.84 -25.81 19.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-O 121.052 0.453 . . . . 10.0 110.564 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 19.3 tp10 -79.17 -45.01 20.77 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.054 -0.521 . . . . 10.0 110.811 179.67 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 33.0 tttp -69.52 -44.46 70.95 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.301 -0.409 . . . . 10.0 111.547 -178.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . 0.409 ' O ' ' HG ' ' A' ' 35' ' ' LEU . 7.9 t30 -70.8 -12.25 61.44 Favored 'General case' 0 N--CA 1.464 0.241 0 CA-C-N 116.238 -0.437 . . . . 10.0 111.481 -178.737 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 38.6 ttmt -59.2 -46.05 89.47 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.196 -0.457 . . . . 10.0 111.725 -179.633 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -83.96 -8.18 59.23 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.272 -0.422 . . . . 10.0 111.299 -178.694 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 79.5 mt-10 -99.19 3.43 46.44 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 116.252 -0.431 . . . . 10.0 111.53 -179.151 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.409 ' HG ' ' O ' ' A' ' 31' ' ' ASN . 40.2 mt -92.3 171.2 9.22 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.012 -0.54 . . . . 10.0 110.312 178.933 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . 0.412 ' O ' ' HB2' ' A' ' 37' ' ' ASP . 0.7 OUTLIER -93.21 1.2 57.18 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 116.334 -0.394 . . . . 10.0 110.39 -179.663 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . 0.412 ' HB2' ' O ' ' A' ' 36' ' ' SER . 97.2 m-20 73.9 -1.61 3.02 Favored 'General case' 0 C--O 1.252 1.213 0 C-N-CA 124.874 1.27 . . . . 0.0 111.049 179.11 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 27.3 t-20 -97.47 -39.9 8.94 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-O 121.458 0.647 . . . . 10.0 109.409 179.423 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -84.42 -5.66 59.3 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 114.873 -1.058 . . . . 10.0 109.941 179.598 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 48.8 tp -60.43 -28.87 68.61 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.616 -0.72 . . . . 10.0 110.577 179.619 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -62.1 -55.08 32.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.86 -0.609 . . . . 10.0 111.042 -179.864 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 11.8 m -73.96 -23.4 18.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.392 -0.367 . . . . 10.0 111.293 -179.598 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 52.3 t80 -64.99 -40.35 94.83 Favored 'General case' 0 C--O 1.235 0.316 0 CA-C-N 116.392 -0.367 . . . . 10.0 110.065 179.504 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 3.0 m-85 -61.81 -47.24 85.97 Favored 'General case' 0 CA--C 1.52 -0.211 0 CA-C-N 116.003 -0.544 . . . . 10.0 110.259 179.299 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 23.0 m -60.14 -38.05 81.92 Favored 'General case' 0 C--O 1.237 0.43 0 CA-C-N 115.816 -0.629 . . . . 10.0 111.634 179.867 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -67.49 -43.05 81.86 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.033 -0.531 . . . . 10.0 110.42 179.865 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -66.13 -44.85 83.04 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.928 -0.578 . . . . 10.0 110.377 179.337 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 48.7 m-20 -58.65 -42.69 88.96 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.683 -0.689 . . . . 10.0 110.155 179.287 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 5.1 t60 -63.35 -47.61 81.44 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.79 -0.641 . . . . 10.0 110.342 179.72 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . 0.507 ' NE ' ' HA ' ' A' ' 16' ' ' ARG . 30.5 tpt180 -62.85 -38.2 89.85 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.615 -0.72 . . . . 10.0 111.082 -179.458 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 32.3 tp -69.78 -42.28 74.0 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.519 -0.31 . . . . 10.0 110.782 -179.813 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . 0.493 ' HA ' HD11 ' A' ' 71' ' ' ILE . . . -59.83 -49.4 77.84 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 112.101 0.408 . . . . 10.0 112.101 -179.724 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 16.5 pt-20 -67.0 -33.38 75.44 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.71 0.29 . . . . 10.0 111.266 -179.376 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.419 HD12 ' HA ' ' A' ' 54' ' ' LEU . 8.1 tp -72.97 -35.62 66.96 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.964 0.411 . . . . 10.0 111.02 -179.585 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 48.2 m -66.08 -31.73 72.78 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.311 -0.404 . . . . 10.0 111.315 -179.611 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 79.2 mmm -98.24 -3.71 36.85 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.725 -0.216 . . . . 10.0 111.169 179.66 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 63.5 t30 57.99 44.07 20.17 Favored 'General case' 0 N--CA 1.464 0.257 0 CA-C-O 121.608 0.718 . . . . 10.0 110.628 -179.834 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 15.6 tptp -158.82 116.85 2.89 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.808 -0.633 . . . . 10.0 110.289 -179.818 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 5.4 mp -71.37 125.36 26.79 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.978 0.418 . . . . 10.0 110.642 -179.76 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 27.6 m-85 -130.16 139.34 50.88 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.74 -0.664 . . . . 10.0 110.598 -179.699 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 64.4 m-20 -70.19 -33.76 72.11 Favored 'General case' 0 C--N 1.331 -0.239 0 N-CA-C 109.35 -0.611 . . . . 10.0 109.35 178.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -114.45 157.55 22.76 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 108.689 -0.856 . . . . 10.0 108.689 178.443 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 47.6 mm -117.54 125.28 28.22 Favored Pre-proline 0 C--N 1.32 -0.703 0 C-N-CA 120.596 -0.442 . . . . 10.0 111.398 -179.237 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 19.6 Cg_exo -65.51 131.34 27.63 Favored 'Trans proline' 0 C--N 1.347 0.494 0 C-N-CA 122.588 2.192 . . . . 10.0 111.689 178.555 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -55.89 -31.74 63.1 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 112.669 0.618 . . . . 10.0 112.669 -179.038 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 96.3 p -84.31 0.58 48.56 Favored 'General case' 0 C--O 1.257 1.489 0 O-C-N 121.737 -0.602 . . . . 0.0 111.008 -177.216 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -90.74 -18.56 7.47 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.011 0 CA-C-N 119.545 1.066 . . . . 10.0 111.143 -179.005 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' TRP . . . . . 0.636 ' HB2' HG11 ' C' ' 35' ' ' VAL . 86.3 m95 -65.42 -18.32 65.23 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.931 0.396 . . . . 10.0 111.576 -179.049 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 12.4 tptp -68.48 -22.1 64.57 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.348 -0.387 . . . . 10.0 110.743 179.7 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 91.2 m-85 -88.43 -5.26 58.37 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.346 -0.388 . . . . 10.0 110.727 179.836 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . 0.493 HD11 ' HA ' ' A' ' 52' ' ' ALA . 1.6 mp -84.74 129.31 37.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-N 115.93 -0.577 . . . . 10.0 109.736 179.55 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 50.9 mtp180 . . . . . 0 C--O 1.248 1.019 0 CA-C-O 118.408 -0.806 . . . . 10.0 110.431 -179.597 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 CA--C 1.529 0.135 0 CA-C-O 120.794 0.33 . . . . 10.0 110.585 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . -62.78 -41.13 99.1 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.124 -0.489 . . . . 10.0 110.939 179.777 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 10.4 mp -71.61 -14.3 62.02 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.983 -0.553 . . . . 10.0 110.938 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 36.3 ttmt -79.73 -39.73 30.45 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.274 -0.421 . . . . 10.0 110.497 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 7' ' ' ILE . . . . . . . . . . . . . 31.6 pt -86.62 -21.48 7.38 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.185 0 CA-C-N 116.161 -0.472 . . . . 10.0 111.038 -179.52 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 1.2 tp -82.15 -6.77 59.44 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.168 -0.469 . . . . 10.0 110.674 -179.851 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 9' ' ' ASN . . . . . . . . . . . . . 55.3 t30 -73.82 -33.47 64.17 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.895 -0.593 . . . . 10.0 111.343 -179.468 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 10' ' ' ASN . . . . . . . . . . . . . 14.3 t-20 -99.83 140.77 33.56 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.223 0.535 . . . . 10.0 111.452 -179.321 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 74.5 mt -68.41 -33.82 62.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 115.601 -0.727 . . . . 10.0 112.387 -178.609 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 12' ' ' ARG . . . . . . . . . . . . . 97.6 mtt180 -65.68 -37.84 87.61 Favored 'General case' 0 N--CA 1.465 0.325 0 N-CA-C 111.756 0.28 . . . . 10.0 111.756 -178.671 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 13' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -76.28 -35.09 59.07 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 120.977 0.418 . . . . 10.0 110.534 179.456 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 24.2 tp -69.65 -41.45 75.55 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.697 -0.683 . . . . 10.0 111.187 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 15' ' ' ARG . . . . . 0.408 HH11 ' HD2' ' B' ' 15' ' ' ARG . 30.1 mtt180 -53.41 -40.43 65.12 Favored 'General case' 0 N--CA 1.467 0.41 0 CA-C-N 116.311 -0.404 . . . . 10.0 111.753 -179.768 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 16' ' ' ALA . . . . . . . . . . . . . . . -62.54 -51.9 65.55 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 112.493 0.553 . . . . 10.0 112.493 -178.686 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 17' ' ' GLN . . . . . 0.612 ' O ' ' HG2' ' B' ' 20' ' ' GLU . 0.0 OUTLIER -71.58 -19.63 62.11 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 121.456 0.646 . . . . 10.0 111.22 -179.271 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -74.63 -10.08 59.19 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.316 -0.402 . . . . 10.0 111.327 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 15.5 mmm180 -83.92 -18.09 38.52 Favored 'General case' 0 C--N 1.328 -0.334 0 C-N-CA 121.231 -0.188 . . . . 10.0 111.188 -179.736 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 20' ' ' GLU . . . . . 0.612 ' HG2' ' O ' ' B' ' 17' ' ' GLN . 10.7 pt-20 -95.27 -14.2 24.2 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.176 0.512 . . . . 10.0 110.704 179.707 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 21' ' ' CYS . . . . . . . . . . . . . 76.8 m -95.15 132.48 40.04 Favored 'General case' 0 CA--C 1.511 -0.53 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.949 178.144 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -63.63 153.34 36.28 Favored 'General case' 0 C--N 1.314 -0.943 0 O-C-N 123.853 0.721 . . . . 10.0 110.934 179.477 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 47.0 tp -55.45 -41.97 73.61 Favored 'General case' 0 N--CA 1.461 0.121 0 N-CA-C 109.733 -0.469 . . . . 10.0 109.733 179.498 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -55.63 -50.03 71.27 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 115.53 -0.759 . . . . 10.0 110.542 178.609 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -62.86 -42.59 99.81 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.635 -0.711 . . . . 10.0 111.604 -179.633 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 69.1 mt -61.24 -44.27 97.53 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.314 -0.403 . . . . 10.0 111.111 -179.579 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 27' ' ' GLU . . . . . 0.426 ' OE2' ' HD3' ' C' ' 41' ' ' ARG . 51.1 mt-10 -69.6 -40.63 76.56 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.036 0.446 . . . . 10.0 109.938 179.189 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 28' ' ' GLU . . . . . 0.526 ' O ' ' HG3' ' B' ' 32' ' ' LYS . 0.6 OUTLIER -60.78 -44.87 96.23 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.732 -0.667 . . . . 10.0 111.227 -179.784 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 29' ' ' MET . . . . . . . . . . . . . 5.5 ppp? -75.8 -28.27 58.28 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.603 -0.271 . . . . 10.0 111.218 -179.34 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 35.6 tp -58.13 -47.39 83.45 Favored 'General case' 0 C--O 1.233 0.193 0 CA-C-O 120.946 0.403 . . . . 10.0 110.457 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 23.7 mt-10 -64.72 -34.91 79.43 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.753 -0.658 . . . . 10.0 110.808 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 32' ' ' LYS . . . . . 0.526 ' HG3' ' O ' ' B' ' 28' ' ' GLU . 43.1 mttm -64.74 -44.61 89.57 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.063 -0.517 . . . . 10.0 110.974 -179.615 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 52.4 tp -70.41 -37.06 74.39 Favored 'General case' 0 C--N 1.324 -0.502 0 C-N-CA 120.585 -0.446 . . . . 10.0 109.989 179.22 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 8.9 tt0 -60.94 -47.54 85.97 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.905 -0.589 . . . . 10.0 111.416 -179.649 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 35' ' ' VAL . . . . . . . . . . . . . 27.4 m -63.21 -32.16 55.35 Favored 'Isoleucine or valine' 0 C--O 1.233 0.199 0 C-N-CA 120.892 -0.323 . . . . 10.0 111.732 -179.253 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 36' ' ' VAL . . . . . 0.525 HG23 ' O ' ' B' ' 32' ' ' LYS . 59.4 t -69.66 -41.48 80.17 Favored 'Isoleucine or valine' 0 C--O 1.233 0.193 0 N-CA-C 109.213 -0.662 . . . . 10.0 109.213 178.599 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 69.9 t -65.82 -38.96 83.41 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.227 0 N-CA-C 108.742 -0.836 . . . . 10.0 108.742 178.145 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 22.0 t30 -62.15 -43.47 98.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.447 -0.797 . . . . 10.0 109.757 178.276 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 39' ' ' GLU . . . . . 0.602 ' O ' ' HG3' ' B' ' 43' ' ' GLU . 18.2 mt-10 -59.16 -51.05 71.67 Favored 'General case' 0 N--CA 1.453 -0.317 0 CA-C-N 115.605 -0.725 . . . . 10.0 109.625 178.364 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 13.5 mmm-85 -60.69 -38.73 85.95 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 115.863 -0.608 . . . . 10.0 110.899 179.326 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 41' ' ' ARG . . . . . . . . . . . . . 91.8 mtt180 -57.42 -47.04 82.8 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.22 -0.446 . . . . 10.0 110.076 179.048 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 5.6 tp10 -60.8 -45.41 94.52 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.882 -0.599 . . . . 10.0 110.954 -179.924 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 43' ' ' GLU . . . . . 0.602 ' HG3' ' O ' ' B' ' 39' ' ' GLU . 19.2 mt-10 -65.02 -36.01 83.0 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.411 -0.359 . . . . 10.0 110.664 -179.877 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -67.05 -38.79 86.47 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.13 -0.486 . . . . 10.0 111.076 -179.91 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 45' ' ' SER . . . . . . . . . . . . . 2.5 p -81.33 -24.38 37.17 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 111.712 0.264 . . . . 10.0 111.712 179.885 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.327 -0.376 0 CA-C-O 120.815 0.34 . . . . 10.0 111.353 -179.491 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' C' C ' 3' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 . . . . . 0 C--O 1.233 0.203 0 N-CA-C 112.112 0.412 . . . . 10.0 112.112 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' C' C ' 4' ' ' ALA . . . . . . . . . . . . . . . -57.53 -45.75 84.68 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.892 -0.595 . . . . 10.0 112.341 -178.932 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 5' ' ' LEU . . . . . 0.424 ' HA ' HD13 ' C' ' 8' ' ' LEU . 3.2 mm? -80.97 -15.56 55.88 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 112.233 0.457 . . . . 10.0 112.233 -178.568 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 6' ' ' LYS . . . . . . . . . . . . . 84.1 tttt -70.48 -34.58 72.54 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 111.898 0.333 . . . . 10.0 111.898 -178.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 7' ' ' ILE . . . . . . . . . . . . . 49.6 pt -73.31 -6.87 8.84 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 C-N-CA 121.043 -0.263 . . . . 10.0 111.447 -179.174 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 8' ' ' LEU . . . . . 0.424 HD13 ' HA ' ' C' ' 5' ' ' LEU . 2.6 mp -88.67 -7.26 56.64 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.881 0.372 . . . . 10.0 110.531 179.785 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 9' ' ' ASN . . . . . . . . . . . . . 23.4 t-20 -79.17 -30.44 43.49 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.103 -0.499 . . . . 10.0 110.062 179.702 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 10' ' ' ASN . . . . . 0.441 HD21 ' HB2' ' C' ' 12' ' ' ARG . 29.2 t30 -90.25 117.66 29.16 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.568 -0.742 . . . . 10.0 109.341 179.156 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 11' ' ' ILE . . . . . . . . . . . . . 8.4 tp -62.97 -25.6 38.93 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 116.291 -0.413 . . . . 10.0 111.651 -178.877 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 12' ' ' ARG . . . . . 0.441 ' HB2' HD21 ' C' ' 10' ' ' ASN . 33.9 mmt180 -65.53 -45.69 82.47 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.584 0.23 . . . . 10.0 110.746 -179.671 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 13' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -75.35 -38.25 60.2 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.843 0.354 . . . . 10.0 110.484 179.759 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 14' ' ' LEU . . . . . . . . . . . . . 34.1 tp -62.2 -47.69 83.32 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.823 -0.626 . . . . 10.0 110.735 179.863 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 15' ' ' ARG . . . . . . . . . . . . . 30.1 ttm105 -63.61 -30.22 71.36 Favored 'General case' 0 C--O 1.235 0.29 0 CA-C-N 116.139 -0.482 . . . . 10.0 111.026 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 16' ' ' ALA . . . . . . . . . . . . . . . -80.98 -40.68 23.99 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.349 -0.387 . . . . 10.0 111.043 -179.786 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 17' ' ' GLN . . . . . 0.434 ' O ' ' HB2' ' C' ' 20' ' ' GLU . 4.0 tp60 -67.24 -30.59 70.54 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.003 -0.544 . . . . 10.0 110.517 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 18' ' ' ALA . . . . . . . . . . . . . . . -66.85 -18.23 65.27 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.396 -0.365 . . . . 10.0 111.742 -179.776 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 19' ' ' ARG . . . . . . . . . . . . . 89.2 mtt-85 -78.6 -5.6 53.29 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 120.836 0.351 . . . . 10.0 110.797 -179.807 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 20' ' ' GLU . . . . . 0.434 ' HB2' ' O ' ' C' ' 17' ' ' GLN . 0.4 OUTLIER -76.5 -22.67 54.15 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.068 -0.514 . . . . 10.0 111.485 -179.622 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' C' C ' 21' ' ' CYS . . . . . . . . . . . . . 73.2 m -131.24 166.66 20.68 Favored 'General case' 0 CA--C 1.511 -0.554 0 CA-C-O 122.276 1.036 . . . . 0.0 111.006 -179.472 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 22' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -78.12 160.75 27.86 Favored 'General case' 0 C--O 1.239 0.533 0 CA-C-N 114.58 -1.191 . . . . 10.0 111.048 179.111 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 53.2 tp -56.32 -37.25 69.67 Favored 'General case' 0 C--O 1.225 -0.226 0 O-C-N 123.26 0.35 . . . . 10.0 111.471 -179.369 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 24' ' ' GLU . . . . . . . . . . . . . 7.3 tt0 -52.84 -51.73 59.83 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.978 0.418 . . . . 10.0 110.457 179.538 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 25' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -66.6 -41.38 88.54 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.862 -0.608 . . . . 10.0 111.201 179.409 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 26' ' ' LEU . . . . . . . . . . . . . 87.0 mt -61.58 -45.74 92.84 Favored 'General case' 0 N--CA 1.465 0.289 0 CA-C-O 120.949 0.404 . . . . 10.0 111.132 -179.665 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 27' ' ' GLU . . . . . 0.455 ' O ' ' HG3' ' C' ' 31' ' ' GLU . 21.3 tt0 -68.87 -41.31 78.58 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 116.377 -0.374 . . . . 10.0 110.369 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 28' ' ' GLU . . . . . 0.54 ' O ' ' HG2' ' C' ' 32' ' ' LYS . 33.3 tt0 -58.37 -47.18 84.65 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.061 -0.518 . . . . 10.0 110.891 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 29' ' ' MET . . . . . . . . . . . . . 21.9 ptp -70.91 -27.36 63.73 Favored 'General case' 0 C--N 1.332 -0.187 0 C-N-CA 120.993 -0.283 . . . . 10.0 110.963 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 30' ' ' LEU . . . . . . . . . . . . . 23.5 tp -66.0 -40.37 91.08 Favored 'General case' 0 C--N 1.332 -0.169 0 N-CA-C 109.696 -0.483 . . . . 10.0 109.696 179.015 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 31' ' ' GLU . . . . . 0.455 ' HG3' ' O ' ' C' ' 27' ' ' GLU . 46.4 mt-10 -63.45 -27.18 69.11 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.631 -0.713 . . . . 10.0 110.675 179.52 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 32' ' ' LYS . . . . . 0.54 ' HG2' ' O ' ' C' ' 28' ' ' GLU . 23.3 mmtp -77.16 -32.86 56.54 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.933 -0.576 . . . . 10.0 110.094 179.725 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 33' ' ' LEU . . . . . . . . . . . . . 18.4 tp -76.62 -43.88 36.51 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.865 -0.607 . . . . 10.0 112.176 -178.718 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 34' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -59.93 -40.56 89.34 Favored 'General case' 0 C--N 1.33 -0.271 0 N-CA-C 112.276 0.473 . . . . 10.0 112.276 -178.171 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 35' ' ' VAL . . . . . 0.636 HG11 ' HB2' ' A' ' 68' ' ' TRP . 19.2 m -70.14 -27.99 34.34 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.2 0 C-N-CA 120.639 -0.424 . . . . 10.0 111.063 -179.872 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 36' ' ' VAL . . . . . . . . . . . . . 19.5 t -67.62 -41.2 85.38 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 N-CA-C 109.187 -0.671 . . . . 10.0 109.187 178.662 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 37' ' ' VAL . . . . . . . . . . . . . 79.1 t -64.05 -35.59 74.11 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.36 0 CA-C-N 115.739 -0.664 . . . . 10.0 109.471 178.486 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 38' ' ' ASN . . . . . . . . . . . . . 1.6 t30 -59.66 -48.64 80.88 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 115.967 -0.561 . . . . 10.0 110.235 179.826 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 39' ' ' GLU . . . . . . . . . . . . . 17.0 mt-10 -58.89 -44.84 91.26 Favored 'General case' 0 C--O 1.233 0.218 0 CA-C-N 116.019 -0.537 . . . . 10.0 110.366 179.496 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 40' ' ' ARG . . . . . 0.456 ' HA ' HH11 ' C' ' 40' ' ' ARG . 7.5 mmm180 -60.86 -38.28 85.04 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.655 -0.702 . . . . 10.0 110.3 179.825 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 41' ' ' ARG . . . . . 0.426 ' HD3' ' OE2' ' B' ' 27' ' ' GLU . 11.3 mmm180 -64.65 -44.31 90.87 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.854 -0.612 . . . . 10.0 110.041 179.128 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 42' ' ' GLU . . . . . . . . . . . . . 54.6 mt-10 -57.75 -42.94 85.01 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.664 -0.698 . . . . 10.0 111.055 -179.794 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 43' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -61.76 -53.03 61.57 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.302 0.573 . . . . 10.0 111.738 -179.845 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 44' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.323 -0.573 0 CA-C-N 115.752 -0.658 . . . . 10.0 112.394 -178.225 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 12.0 tp . . . . . 0 N--CA 1.475 0.823 0 N-CA-C 109.716 -0.475 . . . . 10.0 109.716 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -103.61 171.84 7.14 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.095 0.474 . . . . 10.0 111.589 -179.073 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 43.6 mttt -67.71 -37.2 81.92 Favored 'General case' 0 C--O 1.224 -0.249 0 CA-C-N 115.665 -0.698 . . . . 10.0 110.304 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -59.69 -35.07 73.75 Favored 'General case' 0 C--O 1.236 0.384 0 CA-C-N 115.855 -0.611 . . . . 10.0 112.319 -178.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 28.0 m-20 -65.56 -32.4 73.96 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.02 -0.536 . . . . 10.0 110.279 -179.773 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 55.4 m-85 -88.76 -31.4 18.42 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.123 -0.489 . . . . 10.0 109.907 179.15 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 67.3 tp -58.63 -49.54 77.14 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.712 -0.676 . . . . 10.0 110.909 -179.918 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 78.0 mmm -62.19 -23.55 66.68 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.951 0.405 . . . . 10.0 111.102 -179.357 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.71 -38.97 32.26 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.125 -0.489 . . . . 10.0 109.961 179.389 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 74.9 mt -82.14 -18.56 42.45 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.77 -0.65 . . . . 10.0 111.187 -179.538 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . 0.466 ' HA ' ' CZ ' ' A' ' 50' ' ' ARG . 27.0 mtt180 -69.69 -11.7 61.05 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.328 -0.397 . . . . 10.0 110.984 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 80.8 mtm-85 -87.87 -6.16 58.23 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.274 -0.421 . . . . 10.0 110.186 178.84 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 39.5 m -98.54 132.71 43.74 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.998 -0.546 . . . . 10.0 109.928 179.152 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -127.92 -175.37 3.46 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.457 -0.338 . . . . 10.0 110.909 -179.331 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 1.2 m 70.68 -2.3 2.3 Favored 'General case' 0 CA--C 1.534 0.349 0 C-N-CA 123.353 0.661 . . . . 10.0 112.552 178.499 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 84.1 mt 72.23 -55.59 0.28 Allowed 'Isoleucine or valine' 0 N--CA 1.472 0.668 0 C-N-CA 122.962 0.505 . . . . 10.0 111.468 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 32.2 t70 -56.41 -41.91 77.11 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.211 -0.449 . . . . 10.0 111.203 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 8.1 m -60.99 -34.9 75.52 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.182 0.515 . . . . 10.0 110.218 179.058 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.406 ' O ' HG12 ' A' ' 27' ' ' VAL . 20.4 tp -70.76 -36.31 73.05 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.612 -0.722 . . . . 10.0 109.897 179.369 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 2.1 tp10 -66.89 -31.09 71.46 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.148 0.499 . . . . 10.0 110.242 179.865 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 58.3 mtt180 -73.91 -41.46 62.07 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.795 -0.639 . . . . 10.0 111.318 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.438 ' O ' ' HB2' ' A' ' 31' ' ' ASN . 13.0 p -68.84 -42.39 82.63 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.333 0 CA-C-N 116.644 -0.253 . . . . 10.0 111.632 -178.921 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 46.2 pt -68.08 -30.95 49.79 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 O-C-N 122.161 -0.337 . . . . 10.0 111.18 -179.487 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 9.6 tp10 -67.81 -54.19 21.09 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.276 -0.42 . . . . 10.0 110.264 179.645 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 29.1 tttp -64.96 -32.34 74.02 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.099 -0.501 . . . . 10.0 111.029 -179.795 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . 0.438 ' HB2' ' O ' ' A' ' 27' ' ' VAL . 0.7 OUTLIER -66.86 -34.56 78.07 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.974 -0.557 . . . . 10.0 111.623 -179.532 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 3.6 mtmp? -61.21 -32.88 72.65 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 112.061 0.393 . . . . 10.0 112.061 -178.855 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 10.0 m-85 -82.02 -3.84 55.42 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.801 0.334 . . . . 10.0 111.046 -179.217 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 4.9 tt0 -112.32 -14.99 13.25 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 121.012 0.434 . . . . 10.0 110.963 -179.324 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 61.9 mt -79.01 163.69 24.99 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.216 -0.447 . . . . 10.0 110.572 -179.777 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . 0.513 ' O ' ' HB2' ' A' ' 37' ' ' ASP . 0.7 OUTLIER -95.94 -1.68 48.66 Favored 'General case' 0 C--N 1.321 -0.645 0 N-CA-C 109.537 -0.542 . . . . 10.0 109.537 179.789 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . 0.513 ' HB2' ' O ' ' A' ' 36' ' ' SER . 97.1 m-20 80.57 -10.37 1.26 Allowed 'General case' 0 C--O 1.248 1.016 0 C-N-CA 125.044 1.338 . . . . 0.0 111.012 178.943 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . 0.436 ' OD1' ' HB2' ' A' ' 36' ' ' SER . 2.3 p-10 -85.88 -29.31 23.78 Favored 'General case' 0 C--N 1.332 -0.18 0 O-C-N 120.917 -1.114 . . . . 10.0 109.777 178.377 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -89.5 -5.53 57.21 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.671 -0.695 . . . . 10.0 109.639 179.634 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 21.2 tp -64.1 -23.03 67.17 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.406 -0.815 . . . . 10.0 110.924 -179.649 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -64.13 -49.61 71.46 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.234 -0.439 . . . . 10.0 111.138 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 2.8 m -80.19 -22.93 11.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.406 -0.361 . . . . 10.0 111.128 -179.806 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 53.8 t80 -72.5 -37.0 68.53 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.028 -0.533 . . . . 10.0 110.203 179.66 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -58.77 -51.73 68.75 Favored 'General case' 0 CA--C 1.52 -0.183 0 CA-C-N 116.298 -0.41 . . . . 10.0 110.867 179.813 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 13.0 m -59.87 -35.99 75.96 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.414 -0.357 . . . . 10.0 111.102 179.687 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -65.26 -46.73 79.32 Favored 'General case' 0 C--O 1.234 0.283 0 CA-C-N 116.308 -0.405 . . . . 10.0 110.266 179.321 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -66.39 -43.01 87.05 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.186 -0.461 . . . . 10.0 110.097 179.215 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -58.8 -46.71 86.96 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.769 -0.65 . . . . 10.0 110.121 179.469 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 5.9 t60 -63.34 -46.05 88.41 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.713 -0.676 . . . . 10.0 110.352 179.451 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . 0.466 ' CZ ' ' HA ' ' A' ' 16' ' ' ARG . 31.0 tpt180 -64.72 -39.85 94.35 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.969 -0.559 . . . . 10.0 111.462 -179.209 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 36.7 tp -61.83 -42.22 98.76 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.62 0.248 . . . . 10.0 110.626 -179.751 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . 0.603 ' HA ' HD11 ' A' ' 71' ' ' ILE . . . -60.03 -49.33 78.09 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.236 -0.438 . . . . 10.0 111.914 -179.745 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -74.44 -29.73 61.6 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.486 -0.324 . . . . 10.0 111.662 -178.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 15.8 tp -73.51 -40.81 63.77 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 120.504 0.192 . . . . 10.0 111.398 -179.335 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 23.6 m -64.31 -34.45 78.16 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.974 0.416 . . . . 10.0 110.592 179.735 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 88.2 mmm -84.98 -12.9 52.24 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.918 -0.583 . . . . 10.0 110.351 179.165 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 49.7 t30 62.21 38.03 13.8 Favored 'General case' 0 C--O 1.233 0.199 0 CA-C-N 115.491 -0.777 . . . . 10.0 110.88 -179.521 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 22.6 tptp -150.88 121.1 7.25 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.758 -0.655 . . . . 10.0 109.744 -179.911 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 6.3 mp -66.14 127.13 30.92 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 120.944 0.402 . . . . 10.0 110.953 -179.824 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 38.0 m-85 -127.43 128.2 45.38 Favored 'General case' 0 C--O 1.238 0.462 0 CA-C-N 116.007 -0.542 . . . . 10.0 111.438 -179.576 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -65.97 -46.0 79.66 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 108.336 -0.987 . . . . 10.0 108.336 177.489 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 34.3 pttt -114.93 151.45 34.03 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 114.797 -1.092 . . . . 10.0 108.485 178.153 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 27.8 mm -110.68 127.18 27.38 Favored Pre-proline 0 C--N 1.321 -0.641 0 N-CA-C 112.187 0.44 . . . . 10.0 112.187 -178.134 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . 0.446 ' O ' HG12 ' A' ' 67' ' ' VAL . 49.5 Cg_endo -74.23 137.03 22.99 Favored 'Trans proline' 0 C--N 1.345 0.367 0 C-N-CA 122.41 2.073 . . . . 10.0 111.518 178.047 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . 0.494 ' HA ' ' CD1' ' A' ' 68' ' ' TRP . 0.9 OUTLIER -61.1 -24.54 66.31 Favored 'General case' 0 C--N 1.321 -0.652 0 N-CA-C 113.335 0.865 . . . . 10.0 113.335 -178.41 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 95.7 p -76.71 -5.41 47.93 Favored 'General case' 0 C--O 1.258 1.512 0 O-C-N 121.375 -0.828 . . . . 0.0 111.003 -177.864 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.446 HG12 ' O ' ' A' ' 64' ' ' PRO . 1.9 p -97.85 -17.88 6.57 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.348 0 CA-C-N 119.876 1.216 . . . . 10.0 112.32 -177.651 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' TRP . . . . . 0.562 ' HB2' HG11 ' C' ' 35' ' ' VAL . 76.0 m95 -64.15 -24.12 67.57 Favored 'General case' 0 N--CA 1.463 0.213 0 CA-C-O 120.86 0.362 . . . . 10.0 111.586 -179.101 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 21.5 tptp -65.98 -25.88 67.3 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.21 -0.45 . . . . 10.0 111.862 -178.918 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 89.3 m-85 -93.61 0.98 56.79 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.756 0.312 . . . . 10.0 111.637 -178.914 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . 0.603 HD11 ' HA ' ' A' ' 52' ' ' ALA . 1.4 mp -87.88 138.1 19.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-O 121.0 0.428 . . . . 10.0 110.781 -179.47 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 31.9 mtp-105 . . . . . 0 C--O 1.249 1.041 0 CA-C-O 118.127 -0.94 . . . . 10.0 109.906 179.68 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.451 -0.395 0 N-CA-C 109.565 -0.532 . . . . 10.0 109.565 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . -67.03 -45.16 78.33 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.603 -0.726 . . . . 10.0 110.861 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 5' ' ' LEU . . . . . 0.7 ' CD2' ' SG ' ' C' ' 21' ' ' CYS . 7.0 mp -78.33 0.9 23.68 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.296 -0.411 . . . . 10.0 111.289 -179.787 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 35.3 ttpt -92.88 -48.48 6.52 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.072 -0.513 . . . . 10.0 109.812 179.062 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 7' ' ' ILE . . . . . . . . . . . . . 1.1 pt -73.9 -18.93 17.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-N 115.831 -0.622 . . . . 10.0 111.094 -179.858 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 1.4 mp -74.39 -19.0 60.59 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.917 -0.583 . . . . 10.0 111.863 -179.522 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 9' ' ' ASN . . . . . . . . . . . . . 13.1 t-20 -86.26 -17.65 34.13 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.857 0.36 . . . . 10.0 110.945 -179.371 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 10' ' ' ASN . . . . . 0.504 ' OD1' ' HB2' ' B' ' 12' ' ' ARG . 12.8 t-20 -99.28 123.21 43.38 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-O 120.917 0.389 . . . . 10.0 110.472 -179.717 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 81.7 mt -58.0 -37.23 60.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 CA-C-N 115.734 -0.666 . . . . 10.0 112.085 -179.295 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 12' ' ' ARG . . . . . 0.504 ' HB2' ' OD1' ' B' ' 10' ' ' ASN . 99.7 mtt180 -61.17 -53.45 56.77 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 111.862 0.319 . . . . 10.0 111.862 -178.952 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 13' ' ' THR . . . . . 0.45 ' OG1' ' HB3' ' B' ' 10' ' ' ASN . 0.6 OUTLIER -67.58 -35.41 78.96 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 120.783 0.325 . . . . 10.0 111.2 -179.72 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' B' B ' 14' ' ' LEU . . . . . 0.401 HD12 ' HA ' ' B' ' 14' ' ' LEU . 12.8 tp -66.53 -38.39 87.08 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.283 -0.417 . . . . 10.0 110.83 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 15' ' ' ARG . . . . . 0.409 ' O ' ' HG2' ' B' ' 19' ' ' ARG . 19.9 mtt85 -59.73 -46.24 89.73 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.368 -0.378 . . . . 10.0 110.542 179.525 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 16' ' ' ALA . . . . . . . . . . . . . . . -70.14 -34.45 73.06 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.085 -0.507 . . . . 10.0 110.76 -179.728 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 17' ' ' GLN . . . . . . . . . . . . . 24.5 tp60 -67.61 -40.83 84.7 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.777 -0.647 . . . . 10.0 110.819 179.808 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -75.43 6.69 4.29 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 112.219 0.451 . . . . 10.0 112.219 -179.316 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 19' ' ' ARG . . . . . 0.409 ' HG2' ' O ' ' B' ' 15' ' ' ARG . 30.5 mmt180 -94.44 -8.44 38.56 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 122.322 -0.236 . . . . 10.0 110.918 179.609 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 2.9 pt-20 -88.17 -18.33 28.96 Favored 'General case' 0 N--CA 1.463 0.206 0 CA-C-O 120.913 0.387 . . . . 10.0 110.768 -179.774 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 21' ' ' CYS . . . . . 0.998 ' SG ' HD21 ' B' ' 26' ' ' LEU . 32.0 p -120.86 159.56 25.26 Favored 'General case' 0 CA--C 1.51 -0.574 0 CA-C-O 121.33 0.586 . . . . 0.0 111.013 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -85.55 170.77 12.28 Favored 'General case' 0 N--CA 1.452 -0.35 0 CA-C-N 115.558 -0.746 . . . . 10.0 110.697 179.153 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 52.3 tp -63.67 -31.79 73.07 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.657 -0.247 . . . . 10.0 111.116 -179.275 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 4.2 tp10 -52.27 -49.51 63.97 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.034 0.445 . . . . 10.0 110.832 179.631 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -73.19 -39.34 65.67 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.884 -0.598 . . . . 10.0 111.314 -179.947 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 26' ' ' LEU . . . . . 0.998 HD21 ' SG ' ' B' ' 21' ' ' CYS . 89.9 mt -65.14 -47.54 76.72 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.2 -0.455 . . . . 10.0 111.928 -179.295 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 27' ' ' GLU . . . . . 0.561 ' OE1' ' HD3' ' C' ' 41' ' ' ARG . 1.8 tp10 -63.15 -36.37 83.38 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.044 0.45 . . . . 10.0 110.929 -179.8 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 13.4 tt0 -70.64 -45.61 64.84 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.365 -0.38 . . . . 10.0 111.046 -179.846 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 29' ' ' MET . . . . . 0.534 ' HG3' ' O ' ' B' ' 26' ' ' LEU . 5.3 ppp? -66.91 -26.42 66.86 Favored 'General case' 0 CA--C 1.52 -0.183 0 N-CA-C 110.272 -0.269 . . . . 10.0 110.272 179.916 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 19.7 tp -59.2 -49.06 79.28 Favored 'General case' 0 N--CA 1.455 -0.189 0 N-CA-C 109.32 -0.622 . . . . 10.0 109.32 178.825 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 59.3 mt-10 -62.82 -45.73 91.24 Favored 'General case' 0 CA--C 1.52 -0.207 0 CA-C-N 115.631 -0.713 . . . . 10.0 110.297 179.2 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 32' ' ' LYS . . . . . 0.442 ' O ' HG23 ' B' ' 36' ' ' VAL . 81.2 mttt -59.27 -41.31 88.54 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.553 -0.749 . . . . 10.0 111.887 -179.077 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 33' ' ' LEU . . . . . 0.694 HD23 HD22 ' C' ' 33' ' ' LEU . 25.9 tp -78.36 -35.11 47.86 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 120.877 0.37 . . . . 10.0 110.75 179.722 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 16.0 tt0 -63.65 -44.18 94.57 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.106 -0.497 . . . . 10.0 110.915 -179.736 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 35' ' ' VAL . . . . . 0.407 ' O ' ' HG3' ' B' ' 39' ' ' GLU . 30.0 m -64.69 -29.9 48.7 Favored 'Isoleucine or valine' 0 C--N 1.334 -0.098 0 C-N-CA 120.721 -0.392 . . . . 10.0 110.526 179.892 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 36' ' ' VAL . . . . . 0.442 HG23 ' O ' ' B' ' 32' ' ' LYS . 46.4 t -65.79 -45.78 90.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 N-CA-C 109.343 -0.614 . . . . 10.0 109.343 178.547 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 37' ' ' VAL . . . . . 0.419 HG23 ' O ' ' B' ' 33' ' ' LEU . 48.1 t -63.47 -35.89 74.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 115.765 -0.652 . . . . 10.0 109.338 178.88 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 5.4 t-20 -63.95 -44.85 91.59 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.496 -0.774 . . . . 10.0 109.896 179.017 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 39' ' ' GLU . . . . . 0.456 ' O ' ' HG3' ' B' ' 43' ' ' GLU . 95.6 mt-10 -61.84 -47.3 85.69 Favored 'General case' 0 C--O 1.234 0.241 0 CA-C-N 116.016 -0.538 . . . . 10.0 109.644 178.741 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -59.65 -41.04 89.66 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 115.544 -0.753 . . . . 10.0 110.588 179.626 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 41' ' ' ARG . . . . . 0.401 HH21 ' CD ' ' C' ' 27' ' ' GLU . 38.9 mtt180 -64.82 -36.72 85.24 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.204 -0.453 . . . . 10.0 110.26 179.241 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 34.4 tt0 -64.43 -44.67 90.46 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.171 -0.468 . . . . 10.0 109.831 179.117 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 43' ' ' GLU . . . . . 0.456 ' HG3' ' O ' ' B' ' 39' ' ' GLU . 42.6 mt-10 -55.5 -51.45 66.97 Favored 'General case' 0 N--CA 1.463 0.186 0 CA-C-N 115.855 -0.611 . . . . 10.0 110.632 179.419 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -66.85 -34.7 78.38 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.466 -0.788 . . . . 10.0 111.955 -178.924 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 45' ' ' SER . . . . . . . . . . . . . 44.9 m -72.9 -25.18 60.97 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.881 0.372 . . . . 10.0 111.262 -179.719 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.43 0 CA-C-N 116.315 -0.402 . . . . 10.0 111.54 -179.461 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' C' C ' 3' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 . . . . . 0 N--CA 1.452 -0.352 0 CA-C-O 121.049 0.452 . . . . 10.0 110.585 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' C' C ' 4' ' ' ALA . . . . . . . . . . . . . . . -96.12 -29.07 14.29 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.977 -0.556 . . . . 10.0 111.28 -179.369 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 5' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -78.29 -1.81 34.89 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.023 -0.535 . . . . 10.0 112.181 -178.864 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 6' ' ' LYS . . . . . . . . . . . . . 27.0 tptt -75.42 -39.22 59.18 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.636 0.255 . . . . 10.0 111.619 -179.217 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 7' ' ' ILE . . . . . 0.415 ' H ' HG13 ' C' ' 7' ' ' ILE . 1.4 pp -72.49 -20.14 19.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 N-CA-C 112.392 0.516 . . . . 10.0 112.392 -178.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 8' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -79.74 -6.56 57.48 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 121.265 0.555 . . . . 10.0 110.642 179.901 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 9' ' ' ASN . . . . . . . . . . . . . 28.5 t-20 -84.42 -27.65 27.43 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.947 -0.57 . . . . 10.0 110.509 179.857 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 10' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -99.12 121.61 41.24 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.826 -0.625 . . . . 10.0 110.347 -179.215 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 11' ' ' ILE . . . . . . . . . . . . . 10.3 tp -62.83 -26.01 39.77 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.4 0 CA-C-N 116.462 -0.336 . . . . 10.0 111.647 -179.431 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 12' ' ' ARG . . . . . . . . . . . . . 9.3 mmt180 -62.1 -56.06 22.65 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 121.048 0.451 . . . . 10.0 110.921 -179.612 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 13' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -69.55 -39.64 77.31 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.968 -0.56 . . . . 10.0 110.799 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 14' ' ' LEU . . . . . . . . . . . . . 13.2 tp -54.73 -53.55 53.49 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.463 -0.79 . . . . 10.0 112.075 -179.106 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 15' ' ' ARG . . . . . . . . . . . . . 34.8 ttm180 -65.43 -36.01 82.65 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.632 0.254 . . . . 10.0 111.266 -179.611 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 16' ' ' ALA . . . . . . . . . . . . . . . -66.55 -39.2 88.43 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.304 -0.407 . . . . 10.0 111.846 -179.396 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 17' ' ' GLN . . . . . . . . . . . . . 45.3 mt-30 -83.26 -31.19 27.08 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.556 -0.293 . . . . 10.0 111.346 -179.613 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 18' ' ' ALA . . . . . . . . . . . . . . . -69.65 -24.68 63.65 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.683 0.277 . . . . 10.0 111.364 -179.776 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 19' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -72.19 -12.21 61.08 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.784 0.326 . . . . 10.0 111.27 -179.777 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 20' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -82.22 -30.41 30.82 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 120.964 0.412 . . . . 10.0 110.47 -179.736 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 21' ' ' CYS . . . . . 0.7 ' SG ' ' CD2' ' B' ' 5' ' ' LEU . 74.6 m -94.61 151.34 19.4 Favored 'General case' 0 CA--C 1.511 -0.54 0 CA-C-N 115.815 -0.629 . . . . 0.0 110.914 179.931 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 22' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -72.53 154.54 40.77 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.62 -0.718 . . . . 10.0 110.945 178.339 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 37.9 tp -58.39 -31.73 67.94 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.343 -0.389 . . . . 10.0 111.054 179.707 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 24' ' ' GLU . . . . . . . . . . . . . 14.2 tt0 -58.8 -49.93 75.86 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.175 -0.466 . . . . 10.0 110.954 179.694 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 25' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -64.49 -35.25 80.34 Favored 'General case' 0 N--CA 1.45 -0.454 0 CA-C-N 116.35 -0.386 . . . . 10.0 110.865 179.872 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 26' ' ' LEU . . . . . . . . . . . . . 95.6 mt -64.68 -48.33 75.12 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.993 -0.549 . . . . 10.0 110.422 179.547 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 27' ' ' GLU . . . . . 0.401 ' CD ' HH21 ' B' ' 41' ' ' ARG . 59.0 mt-10 -66.66 -37.12 84.14 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.265 -0.425 . . . . 10.0 110.916 179.92 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 28' ' ' GLU . . . . . . . . . . . . . 15.0 tt0 -61.51 -47.24 86.52 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.055 -0.521 . . . . 10.0 110.864 -179.922 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 29' ' ' MET . . . . . . . . . . . . . 21.0 ptp -76.78 -25.12 53.01 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.442 -0.345 . . . . 10.0 111.227 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 30' ' ' LEU . . . . . . . . . . . . . 26.3 tp -62.87 -38.26 90.17 Favored 'General case' 0 C--O 1.232 0.153 0 CA-C-O 120.803 0.335 . . . . 10.0 110.196 179.721 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 31' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -62.86 -34.65 77.81 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.794 -0.639 . . . . 10.0 110.431 179.586 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 32' ' ' LYS . . . . . . . . . . . . . 22.2 mmtp -75.65 -37.11 59.93 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.888 -0.596 . . . . 10.0 109.564 179.48 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 33' ' ' LEU . . . . . 0.694 HD22 HD23 ' B' ' 33' ' ' LEU . 15.8 tp -65.82 -49.44 68.22 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.495 -0.775 . . . . 10.0 111.56 -179.578 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 34' ' ' GLU . . . . . . . . . . . . . 14.8 pt-20 -58.87 -42.44 89.41 Favored 'General case' 0 C--N 1.33 -0.245 0 N-CA-C 111.84 0.311 . . . . 10.0 111.84 -178.726 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 35' ' ' VAL . . . . . 0.562 HG11 ' HB2' ' A' ' 68' ' ' TRP . 33.8 m -72.28 -36.57 56.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 C-N-CA 120.411 -0.516 . . . . 10.0 111.223 -179.679 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 36' ' ' VAL . . . . . . . . . . . . . 11.8 t -67.15 -45.89 85.53 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.336 0 CA-C-O 120.998 0.428 . . . . 10.0 110.334 179.675 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 37' ' ' VAL . . . . . . . . . . . . . 60.7 t -62.72 -36.25 74.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.166 -0.47 . . . . 10.0 109.77 178.646 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 38' ' ' ASN . . . . . 0.668 ' O ' ' HG3' ' C' ' 42' ' ' GLU . 10.9 t30 -63.64 -36.42 83.77 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.912 -0.586 . . . . 10.0 110.393 179.307 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 39' ' ' GLU . . . . . 0.483 ' O ' ' HG3' ' C' ' 43' ' ' GLU . 3.6 mt-10 -61.12 -40.26 93.12 Favored 'General case' 0 N--CA 1.461 0.119 0 CA-C-O 120.916 0.389 . . . . 10.0 110.092 179.412 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 40' ' ' ARG . . . . . 0.538 ' HD2' ' OE1' ' C' ' 43' ' ' GLU . 10.4 mmm180 -71.19 -31.89 68.18 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 115.951 -0.568 . . . . 10.0 109.606 178.725 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 41' ' ' ARG . . . . . 0.561 ' HD3' ' OE1' ' B' ' 27' ' ' GLU . 6.2 mmm-85 -63.28 -45.46 91.34 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.519 -0.764 . . . . 10.0 110.235 178.718 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 42' ' ' GLU . . . . . 0.668 ' HG3' ' O ' ' C' ' 38' ' ' ASN . 30.4 mt-10 -56.55 -37.99 71.27 Favored 'General case' 0 C--N 1.333 -0.14 0 CA-C-N 115.908 -0.587 . . . . 10.0 110.33 179.879 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 43' ' ' GLU . . . . . 0.538 ' OE1' ' HD2' ' C' ' 40' ' ' ARG . 55.1 mt-10 -63.35 -38.78 92.49 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.726 -0.67 . . . . 10.0 111.403 -179.761 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 44' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.327 -0.404 0 CA-C-N 116.468 -0.333 . . . . 10.0 111.386 -179.673 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.601 ' N ' ' HH ' ' A' ' 11' ' ' TYR . 67.2 mt . . . . . 0 N--CA 1.48 1.056 0 N-CA-C 110.038 -0.356 . . . . 10.0 110.038 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -86.92 158.89 19.2 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.386 -0.37 . . . . 10.0 110.068 179.746 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 51.6 tttt -56.51 -34.29 66.84 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.184 -0.462 . . . . 10.0 110.936 179.575 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -73.58 -27.93 61.57 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.829 -0.623 . . . . 10.0 111.419 179.885 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 11.9 m-20 -62.76 -50.81 69.59 Favored 'General case' 0 CA--C 1.52 -0.208 0 CA-C-O 121.067 0.461 . . . . 10.0 110.309 -179.746 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . 0.601 ' HH ' ' N ' ' A' ' 6' ' ' LEU . 44.1 m-85 -65.2 -38.42 90.39 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.716 -0.674 . . . . 10.0 109.953 179.922 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 37.5 tp -61.02 -45.4 94.98 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.917 -0.583 . . . . 10.0 110.631 179.559 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 59.8 mmm -64.77 -27.1 68.67 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.485 -0.325 . . . . 10.0 111.292 -179.923 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -78.7 -45.65 20.82 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.202 0.525 . . . . 10.0 109.65 179.207 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 88.0 mt -74.03 -21.76 59.83 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.79 -0.641 . . . . 10.0 111.79 -179.138 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . 0.527 ' HA ' ' NE ' ' A' ' 50' ' ' ARG . 33.8 mtt180 -72.54 -9.79 59.0 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.832 0.349 . . . . 10.0 111.012 179.676 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . 0.409 HH11 ' HD3' ' A' ' 17' ' ' ARG . 20.9 mtm-85 -88.62 -10.85 47.22 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 109.209 -0.663 . . . . 10.0 109.209 178.294 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 57.4 m -93.63 136.75 33.6 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.439 -0.8 . . . . 10.0 109.067 178.931 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 4.1 mm-40 -130.62 -175.42 3.65 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.574 -0.285 . . . . 10.0 111.581 -178.824 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 1.1 m 70.01 -4.1 1.59 Allowed 'General case' 0 CA--C 1.538 0.483 0 CA-C-N 115.608 -0.724 . . . . 10.0 112.722 178.61 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 73.5 mt 72.07 -53.32 0.26 Allowed 'Isoleucine or valine' 0 N--CA 1.471 0.604 0 C-N-CA 123.04 0.536 . . . . 10.0 111.36 -179.854 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 6.1 t70 -53.83 -45.08 70.76 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.723 -0.671 . . . . 10.0 111.852 -179.848 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 1.6 m -65.29 -33.26 75.56 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.875 0.369 . . . . 10.0 110.942 179.853 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 25.3 tp -67.7 -51.04 54.17 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.125 -0.489 . . . . 10.0 110.894 179.775 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 33.5 mt-10 -64.33 -14.93 59.06 Favored 'General case' 0 N--CA 1.464 0.269 0 CA-C-N 116.211 -0.449 . . . . 10.0 111.5 -179.458 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 8.1 ttm105 -87.19 -44.49 11.44 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.372 -0.377 . . . . 10.0 111.088 179.8 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 10.7 p -73.91 -34.03 38.49 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.435 0 N-CA-C 112.035 0.383 . . . . 10.0 112.035 -178.805 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 48.9 pt -67.76 -36.98 77.73 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.213 0 C-N-CA 120.744 -0.382 . . . . 10.0 111.54 -179.372 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 46.3 tp10 -67.15 -38.58 85.76 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 121.028 0.442 . . . . 10.0 109.987 179.796 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 96.1 mttt -68.77 -43.22 76.22 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.978 -0.556 . . . . 10.0 110.398 179.519 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -67.13 -25.84 66.39 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.171 -0.468 . . . . 10.0 110.468 179.789 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 32.8 ttmt -61.72 -35.55 78.39 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.072 0.463 . . . . 10.0 110.17 179.197 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 15.8 m-85 -83.27 2.11 37.63 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.992 -0.549 . . . . 10.0 111.311 -179.767 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 57.0 mt-10 -128.8 22.03 5.87 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.867 0.365 . . . . 10.0 111.498 -178.911 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 21.3 mt -109.39 159.32 17.11 Favored 'General case' 0 C--N 1.325 -0.461 0 C-N-CA 121.08 -0.248 . . . . 10.0 110.361 179.704 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . 0.483 ' O ' ' HB2' ' A' ' 37' ' ' ASP . 0.8 OUTLIER -88.69 9.33 24.66 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 120.844 0.354 . . . . 10.0 111.068 -179.262 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . 0.483 ' HB2' ' O ' ' A' ' 36' ' ' SER . 98.6 m-20 76.96 -34.84 0.22 Allowed 'General case' 0 C--O 1.253 1.275 0 C-N-CA 124.353 1.061 . . . . 0.0 110.99 178.094 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -68.74 -44.83 72.98 Favored 'General case' 0 C--N 1.327 -0.388 0 O-C-N 121.089 -1.007 . . . . 10.0 111.723 -179.386 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -74.2 -14.3 60.92 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.327 0.584 . . . . 10.0 110.441 -179.167 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 46.1 tp -67.03 -18.82 65.54 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.592 -0.731 . . . . 10.0 110.559 179.831 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -62.06 -44.95 95.58 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.032 -0.531 . . . . 10.0 110.855 179.735 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -87.17 -23.27 6.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.168 -0.469 . . . . 10.0 110.818 179.75 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 55.8 t80 -67.45 -35.53 79.39 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.067 -0.515 . . . . 10.0 110.41 179.657 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -59.7 -53.16 61.28 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 116.117 -0.492 . . . . 10.0 110.478 179.394 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . 0.415 ' HB3' ' OE1' ' C' ' 28' ' ' GLU . 1.4 m -62.3 -31.44 72.04 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.065 -0.516 . . . . 10.0 111.277 -179.863 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -65.92 -49.54 67.63 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.845 0.355 . . . . 10.0 110.472 179.5 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -66.12 -43.06 88.22 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.08 -0.509 . . . . 10.0 110.154 179.546 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -58.02 -51.05 71.26 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.88 -0.6 . . . . 10.0 110.515 179.649 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 3.2 t60 -60.68 -38.46 85.03 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.817 -0.629 . . . . 10.0 110.861 -179.877 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . 0.527 ' NE ' ' HA ' ' A' ' 16' ' ' ARG . 31.4 tpt180 -69.61 -37.93 77.05 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.179 -0.464 . . . . 10.0 111.035 -179.728 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 25.3 tp -66.43 -39.57 88.99 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.721 -0.218 . . . . 10.0 110.984 -179.5 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . 0.463 ' HB2' ' CH2' ' A' ' 68' ' ' TRP . . . -57.77 -49.24 77.27 Favored 'General case' 0 C--O 1.235 0.337 0 CA-C-N 116.384 -0.371 . . . . 10.0 111.776 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 7.6 pt-20 -72.01 -30.77 65.56 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.314 -0.403 . . . . 10.0 111.346 -179.341 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.481 HD12 ' HA ' ' A' ' 54' ' ' LEU . 7.4 tp -73.78 -49.46 25.29 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.319 -0.4 . . . . 10.0 111.589 -179.126 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 93.4 m -61.83 -39.15 90.82 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 111.875 0.324 . . . . 10.0 111.875 -179.268 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' MET . . . . . 0.492 ' HG3' ' CG2' ' A' ' 67' ' ' VAL . 30.5 mmm -85.89 -4.44 59.17 Favored 'General case' 0 C--N 1.326 -0.436 0 C-N-CA 121.127 -0.229 . . . . 10.0 111.523 -179.475 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 6.1 t30 54.99 45.91 25.42 Favored 'General case' 0 C--O 1.232 0.148 0 CA-C-O 121.311 0.577 . . . . 10.0 110.593 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 36.1 tttp -162.66 118.45 1.87 Allowed 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.709 -0.678 . . . . 10.0 109.709 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 3.7 mp -74.84 134.43 41.71 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 116.323 -0.398 . . . . 10.0 111.362 -179.382 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 42.6 m-85 -138.23 134.49 34.49 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.531 -0.759 . . . . 10.0 110.175 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -74.04 -42.1 60.77 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 108.766 -0.827 . . . . 10.0 108.766 178.521 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 23.3 pttp -106.17 142.69 35.44 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 108.392 -0.966 . . . . 10.0 108.392 178.245 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 47.7 mm -108.3 120.51 46.43 Favored Pre-proline 0 C--N 1.321 -0.651 0 C-N-CA 120.954 -0.298 . . . . 10.0 111.536 -178.521 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . 0.442 ' HG2' ' HB ' ' A' ' 67' ' ' VAL . 59.9 Cg_endo -82.39 137.39 9.25 Favored 'Trans proline' 0 N--CA 1.453 -0.892 0 C-N-CA 122.348 2.032 . . . . 10.0 110.843 177.949 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -56.73 -25.66 55.16 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 112.223 0.453 . . . . 10.0 112.223 -178.814 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 95.8 p -76.49 -1.18 25.93 Favored 'General case' 0 C--O 1.258 1.551 0 O-C-N 121.556 -0.715 . . . . 0.0 110.975 -178.131 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.492 ' CG2' ' HG3' ' A' ' 56' ' ' MET . 0.9 OUTLIER -102.31 -13.77 8.4 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.047 0 CA-C-N 119.86 1.209 . . . . 10.0 112.095 -178.65 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' TRP . . . . . 0.614 ' CZ2' ' HE2' ' C' ' 32' ' ' LYS . 40.6 m95 -73.68 -5.38 40.18 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 112.187 0.44 . . . . 10.0 112.187 -178.763 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . 0.432 ' HD3' ' O ' ' A' ' 69' ' ' LYS . 12.8 tppt? -69.86 -29.17 66.34 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.244 0.545 . . . . 10.0 110.201 179.285 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 75.0 m-85 -79.62 -10.9 59.87 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.12 -0.491 . . . . 10.0 111.473 -179.056 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . 0.412 HD11 ' HA ' ' A' ' 52' ' ' ALA . 3.7 mp -102.83 113.32 39.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-O 121.305 0.574 . . . . 10.0 109.995 -179.8 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . 0.566 ' HA ' ' NH1' ' B' ' 15' ' ' ARG . 71.9 mtp180 . . . . . 0 C--O 1.246 0.901 0 CA-C-O 118.565 -0.731 . . . . 10.0 110.471 -179.096 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.455 -0.222 0 N-CA-C 109.81 -0.441 . . . . 10.0 109.81 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . -81.66 -49.3 10.65 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.813 -0.631 . . . . 10.0 111.083 -179.734 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -66.21 -14.28 61.64 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.048 -0.524 . . . . 10.0 111.707 -178.918 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 67.1 tttt -78.68 -29.42 45.57 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 120.951 0.405 . . . . 10.0 110.932 -179.819 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 7' ' ' ILE . . . . . . . . . . . . . 13.9 mt -75.03 -26.24 18.98 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-N 116.144 -0.48 . . . . 10.0 110.646 -179.408 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 10.5 mp -81.59 -10.01 59.54 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.777 -0.647 . . . . 10.0 111.128 -179.405 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 9' ' ' ASN . . . . . . . . . . . . . 19.6 t-20 -71.4 -47.53 55.52 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.026 0.441 . . . . 10.0 110.426 -179.821 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 10' ' ' ASN . . . . . 0.517 ' OD1' ' HB2' ' B' ' 12' ' ' ARG . 20.4 t-20 -104.4 130.3 52.28 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.853 -0.612 . . . . 10.0 110.498 -179.732 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 36.6 mt -65.56 -33.11 61.39 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-N 115.747 -0.661 . . . . 10.0 112.648 -178.678 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 12' ' ' ARG . . . . . 0.517 ' HB2' ' OD1' ' B' ' 10' ' ' ASN . 17.6 mmt85 -63.17 -39.74 95.53 Favored 'General case' 0 N--CA 1.465 0.31 0 CA-C-O 120.676 0.274 . . . . 10.0 111.08 -179.1 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 13' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -77.45 -35.12 54.2 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.096 0.475 . . . . 10.0 110.779 179.586 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 47.3 tp -69.16 -41.12 77.68 Favored 'General case' 0 C--O 1.234 0.285 0 CA-C-N 115.701 -0.681 . . . . 10.0 111.94 -179.304 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 15' ' ' ARG . . . . . 0.566 ' NH1' ' HA ' ' A' ' 72' ' ' ARG . 33.8 mtt180 -56.52 -38.85 72.39 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.459 -0.337 . . . . 10.0 111.312 -179.575 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 16' ' ' ALA . . . . . . . . . . . . . . . -65.45 -41.59 93.27 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.318 -0.401 . . . . 10.0 111.512 -179.887 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 17' ' ' GLN . . . . . 0.559 ' O ' ' HG2' ' B' ' 20' ' ' GLU . 3.4 tp60 -70.61 -33.15 70.72 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.046 0.45 . . . . 10.0 111.25 -179.361 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -68.9 -9.6 52.64 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.217 -0.447 . . . . 10.0 112.106 -179.259 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 19' ' ' ARG . . . . . 0.402 ' HG2' ' O ' ' B' ' 15' ' ' ARG . 20.5 mmm180 -83.19 -8.62 59.46 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 111.958 0.355 . . . . 10.0 111.958 -179.53 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 20' ' ' GLU . . . . . 0.559 ' HG2' ' O ' ' B' ' 17' ' ' GLN . 10.7 pt-20 -100.7 2.83 41.83 Favored 'General case' 0 C--N 1.328 -0.356 0 C-N-CA 120.802 -0.359 . . . . 10.0 111.146 179.871 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 21' ' ' CYS . . . . . . . . . . . . . 79.3 m -130.28 152.54 49.59 Favored 'General case' 0 CA--C 1.511 -0.536 0 CA-C-O 120.831 0.348 . . . . 0.0 110.956 179.454 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -81.2 164.98 21.92 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.036 -0.529 . . . . 10.0 111.251 179.16 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 47.6 tp -55.02 -47.82 74.21 Favored 'General case' 0 N--CA 1.463 0.2 0 CA-C-N 116.28 -0.418 . . . . 10.0 111.135 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 40.3 mt-10 -56.86 -43.94 81.69 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.148 -0.478 . . . . 10.0 111.426 -179.237 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -64.28 -43.5 94.58 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.835 0.35 . . . . 10.0 111.061 -179.93 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 26' ' ' LEU . . . . . 0.503 ' O ' ' HG3' ' B' ' 29' ' ' MET . 81.8 mt -68.51 -41.57 79.8 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.931 -0.577 . . . . 10.0 110.663 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 23.5 tt0 -64.51 -41.13 96.6 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.261 -0.427 . . . . 10.0 110.51 179.793 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 13.5 tt0 -61.43 -48.84 79.35 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.017 -0.538 . . . . 10.0 110.837 179.747 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 29' ' ' MET . . . . . 0.513 ' SD ' HD21 ' C' ' 33' ' ' LEU . 4.5 ppp? -70.21 -26.76 64.02 Favored 'General case' 0 C--N 1.33 -0.258 0 C-N-CA 121.004 -0.278 . . . . 10.0 110.756 -179.369 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 40.2 tp -62.22 -47.09 85.98 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-O 120.918 0.39 . . . . 10.0 109.963 178.655 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 17.9 mt-10 -65.23 -32.83 74.7 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.765 -0.652 . . . . 10.0 110.534 179.676 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 32' ' ' LYS . . . . . 0.446 ' O ' HG23 ' B' ' 36' ' ' VAL . 13.1 mttt -65.56 -46.16 80.55 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.201 -0.454 . . . . 10.0 110.22 179.492 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 33' ' ' LEU . . . . . 0.486 ' O ' HG23 ' B' ' 37' ' ' VAL . 52.5 tp -70.36 -39.57 74.56 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.422 -0.354 . . . . 10.0 110.658 179.829 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 11.2 tp10 -56.4 -48.8 76.16 Favored 'General case' 0 CA--C 1.532 0.282 0 CA-C-N 116.133 -0.485 . . . . 10.0 111.525 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 35' ' ' VAL . . . . . 0.435 ' O ' ' HG3' ' B' ' 39' ' ' GLU . 27.2 m -64.89 -34.96 73.93 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.276 0 C-N-CA 120.617 -0.433 . . . . 10.0 111.26 -179.52 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 36' ' ' VAL . . . . . 0.446 HG23 ' O ' ' B' ' 32' ' ' LYS . 70.4 t -65.18 -44.01 95.41 Favored 'Isoleucine or valine' 0 C--O 1.238 0.454 0 CA-C-O 121.011 0.434 . . . . 10.0 109.988 179.238 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 37' ' ' VAL . . . . . 0.486 HG23 ' O ' ' B' ' 33' ' ' LEU . 47.6 t -67.44 -38.37 80.59 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.26 0 N-CA-C 109.383 -0.599 . . . . 10.0 109.383 178.88 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 65.3 t30 -60.08 -40.14 88.55 Favored 'General case' 0 C--O 1.234 0.251 0 CA-C-N 116.042 -0.527 . . . . 10.0 109.976 178.889 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 39' ' ' GLU . . . . . 0.435 ' HG3' ' O ' ' B' ' 35' ' ' VAL . 95.2 mt-10 -59.97 -46.33 89.76 Favored 'General case' 0 N--CA 1.456 -0.148 0 N-CA-C 109.37 -0.604 . . . . 10.0 109.37 178.295 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 40' ' ' ARG . . . . . 0.43 HH11 ' HD3' ' B' ' 40' ' ' ARG . 9.6 mmm-85 -61.84 -41.12 97.41 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 115.649 -0.705 . . . . 10.0 110.681 179.458 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 41' ' ' ARG . . . . . . . . . . . . . 59.5 mtt180 -56.93 -44.12 82.14 Favored 'General case' 0 CA--C 1.521 -0.147 0 N-CA-C 109.624 -0.51 . . . . 10.0 109.624 178.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 7.0 tp10 -69.8 -46.72 65.08 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.431 -0.804 . . . . 10.0 111.004 -179.823 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 50.1 mt-10 -58.63 -35.91 73.24 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.453 -0.34 . . . . 10.0 111.791 -178.943 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -83.72 -32.83 25.3 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 112.356 0.502 . . . . 10.0 112.356 -179.266 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 45' ' ' SER . . . . . . . . . . . . . 23.2 p -79.2 -25.66 42.68 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.895 0.378 . . . . 10.0 110.827 -179.688 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.45 0 CA-C-N 116.15 -0.477 . . . . 10.0 110.85 179.325 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' C' C ' 3' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.143 0 CA-C-O 120.807 0.337 . . . . 10.0 111.101 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 4' ' ' ALA . . . . . . . . . . . . . . . -61.15 -38.07 85.1 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.286 -0.416 . . . . 10.0 111.612 -179.159 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 5' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -67.57 -24.51 65.52 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.129 -0.487 . . . . 10.0 111.516 -179.424 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 6' ' ' LYS . . . . . . . . . . . . . 20.0 tptm -73.16 -38.39 66.22 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.763 0.316 . . . . 10.0 111.164 -179.465 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 7' ' ' ILE . . . . . . . . . . . . . 7.6 mt -66.99 -33.5 63.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-O 121.212 0.53 . . . . 10.0 110.513 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 8' ' ' LEU . . . . . . . . . . . . . 9.0 mp -79.13 -5.87 55.17 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.287 -0.869 . . . . 10.0 111.219 -179.46 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 9' ' ' ASN . . . . . . . . . . . . . 2.4 t-20 -86.32 -14.17 44.4 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.024 0.44 . . . . 10.0 110.406 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 10' ' ' ASN . . . . . 0.523 ' HB3' ' OG1' ' C' ' 13' ' ' THR . 15.2 t-20 -103.24 115.72 31.11 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.73 -0.668 . . . . 10.0 110.032 -179.776 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 11' ' ' ILE . . . . . . . . . . . . . 4.6 tp -58.57 -27.57 34.26 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.353 0 CA-C-N 115.833 -0.621 . . . . 10.0 112.443 -178.632 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 12' ' ' ARG . . . . . . . . . . . . . 15.1 mmt180 -69.02 -56.54 7.44 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.695 0.283 . . . . 10.0 111.026 -179.611 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 13' ' ' THR . . . . . 0.523 ' OG1' ' HB3' ' C' ' 10' ' ' ASN . 1.2 p -67.7 -34.11 76.23 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.187 -0.46 . . . . 10.0 110.995 -179.507 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 14' ' ' LEU . . . . . . . . . . . . . 28.1 tp -59.81 -51.13 71.04 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.164 -0.471 . . . . 10.0 110.296 179.588 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 15' ' ' ARG . . . . . 0.405 HH11 ' HD2' ' C' ' 15' ' ' ARG . 36.5 ttm105 -64.5 -36.05 82.95 Favored 'General case' 0 CA--C 1.532 0.281 0 CA-C-O 120.922 0.391 . . . . 10.0 110.266 179.78 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 16' ' ' ALA . . . . . . . . . . . . . . . -65.3 -46.41 80.5 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.174 -0.466 . . . . 10.0 111.677 -179.907 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 17' ' ' GLN . . . . . . . . . . . . . 98.2 mt-30 -74.21 -39.21 63.27 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.945 0.402 . . . . 10.0 111.49 -179.35 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 18' ' ' ALA . . . . . . . . . . . . . . . -67.32 -28.02 67.64 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.381 -0.372 . . . . 10.0 111.906 -179.532 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 19' ' ' ARG . . . . . . . . . . . . . 7.7 mtt180 -68.62 -12.98 62.04 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 111.938 0.347 . . . . 10.0 111.938 -179.32 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 20' ' ' GLU . . . . . . . . . . . . . 22.7 mt-10 -92.16 -1.47 57.14 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.979 0.418 . . . . 10.0 110.231 179.202 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 21' ' ' CYS . . . . . . . . . . . . . 71.8 m -111.82 153.28 26.82 Favored 'General case' 0 CA--C 1.511 -0.534 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.977 179.574 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 22' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -76.84 152.04 35.64 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.74 -0.664 . . . . 10.0 110.843 179.903 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 16.3 tp -62.83 -33.42 75.19 Favored 'General case' 0 C--N 1.332 -0.17 0 N-CA-C 110.027 -0.36 . . . . 10.0 110.027 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 24' ' ' GLU . . . . . . . . . . . . . 2.2 tp10 -53.9 -44.32 70.4 Favored 'General case' 0 C--O 1.231 0.079 0 CA-C-N 115.819 -0.628 . . . . 10.0 109.901 178.743 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 25' ' ' THR . . . . . 0.451 ' O ' ' HB3' ' C' ' 29' ' ' MET . 0.2 OUTLIER -78.02 -38.73 44.05 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.693 -0.685 . . . . 10.0 111.32 -179.574 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' C' C ' 26' ' ' LEU . . . . . . . . . . . . . 94.4 mt -64.19 -45.62 87.56 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.295 -0.411 . . . . 10.0 111.822 -179.347 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 27' ' ' GLU . . . . . . . . . . . . . 6.6 tp10 -65.82 -50.63 63.93 Favored 'General case' 0 C--N 1.327 -0.408 0 C-N-CA 121.198 -0.201 . . . . 10.0 111.187 -179.209 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 28' ' ' GLU . . . . . 0.415 ' OE1' ' HB3' ' A' ' 45' ' ' SER . 2.0 tt0 -69.69 -4.31 19.04 Favored 'General case' 0 N--CA 1.469 0.517 0 N-CA-C 111.736 0.273 . . . . 10.0 111.736 -179.176 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 29' ' ' MET . . . . . 0.451 ' HB3' ' O ' ' C' ' 25' ' ' THR . 3.2 ptp -105.36 -31.54 9.0 Favored 'General case' 0 C--N 1.33 -0.256 0 N-CA-C 109.714 -0.476 . . . . 10.0 109.714 177.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 30' ' ' LEU . . . . . . . . . . . . . 34.5 tp -70.88 -37.45 73.03 Favored 'General case' 0 CA--C 1.518 -0.269 0 N-CA-C 109.766 -0.457 . . . . 10.0 109.766 179.302 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 31' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -60.55 -27.82 67.96 Favored 'General case' 0 N--CA 1.455 -0.209 0 CA-C-N 115.932 -0.576 . . . . 10.0 110.467 179.379 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 32' ' ' LYS . . . . . 0.614 ' HE2' ' CZ2' ' A' ' 68' ' ' TRP . 31.8 mmtp -77.09 -34.41 56.9 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.162 0.506 . . . . 10.0 110.531 179.638 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 33' ' ' LEU . . . . . 0.513 HD21 ' SD ' ' B' ' 29' ' ' MET . 54.8 tp -74.73 -45.54 43.43 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.825 -0.625 . . . . 10.0 111.6 -179.372 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 34' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -61.5 -37.21 82.86 Favored 'General case' 0 C--N 1.33 -0.266 0 C-N-CA 121.021 -0.272 . . . . 10.0 111.583 -178.923 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 35' ' ' VAL . . . . . . . . . . . . . 31.1 m -74.49 -31.4 27.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 C-N-CA 120.743 -0.383 . . . . 10.0 110.525 179.622 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 36' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -67.46 -33.77 64.44 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.288 0 CA-C-O 121.127 0.489 . . . . 10.0 109.745 179.368 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 37' ' ' VAL . . . . . 0.424 HG23 ' O ' ' C' ' 33' ' ' LEU . 57.6 t -77.62 -36.89 23.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 115.969 -0.559 . . . . 10.0 109.911 178.869 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 38' ' ' ASN . . . . . . . . . . . . . 3.0 t30 -60.49 -40.11 90.13 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.993 -0.549 . . . . 10.0 110.361 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 39' ' ' GLU . . . . . . . . . . . . . 10.0 mt-10 -61.28 -39.21 89.56 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.208 -0.451 . . . . 10.0 110.423 179.108 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 40' ' ' ARG . . . . . 0.512 ' HD2' ' OE1' ' C' ' 43' ' ' GLU . 11.8 mmm180 -67.55 -33.99 76.17 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 109.324 -0.621 . . . . 10.0 109.324 178.614 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 41' ' ' ARG . . . . . 0.4 ' HE ' ' HB3' ' C' ' 41' ' ' ARG . 8.7 mmm180 -63.68 -43.63 96.09 Favored 'General case' 0 C--O 1.232 0.151 0 N-CA-C 109.215 -0.661 . . . . 10.0 109.215 178.625 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 42' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -60.67 -43.29 97.84 Favored 'General case' 0 N--CA 1.455 -0.217 0 CA-C-N 115.43 -0.805 . . . . 10.0 110.337 179.334 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 43' ' ' GLU . . . . . 0.512 ' OE1' ' HD2' ' C' ' 40' ' ' ARG . 49.3 mt-10 -56.83 -46.34 81.75 Favored 'General case' 0 C--O 1.233 0.209 0 CA-C-O 120.955 0.407 . . . . 10.0 110.661 179.395 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 44' ' ' GLU . . . . . . . . . . . . . 1.5 tp10 . . . . . 0 C--N 1.326 -0.456 0 CA-C-N 115.654 -0.703 . . . . 10.0 111.718 -179.256 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.482 1.137 0 CA-C-O 120.512 0.196 . . . . 10.0 110.627 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -91.12 153.94 19.71 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.544 -0.298 . . . . 10.0 110.582 179.685 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 37.7 pttt -70.57 -20.13 62.81 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.752 0.311 . . . . 10.0 110.893 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -67.48 -37.54 83.05 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.301 -0.409 . . . . 10.0 110.649 179.177 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 31.2 m-20 -61.04 -50.58 72.77 Favored 'General case' 0 CA--C 1.521 -0.162 0 CA-C-O 121.401 0.62 . . . . 10.0 109.847 179.543 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 84.7 m-85 -65.59 -35.64 81.42 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.295 -0.866 . . . . 10.0 110.501 179.481 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 60.9 tp -60.45 -42.4 96.06 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.51 -0.313 . . . . 10.0 110.447 179.658 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 14.9 mmt -70.35 -33.8 71.88 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.785 0.326 . . . . 10.0 110.938 -179.756 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.65 -32.29 63.92 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.276 -0.42 . . . . 10.0 110.565 179.602 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 81.8 mt -86.91 -18.28 31.19 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.449 -0.342 . . . . 10.0 111.417 -179.647 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.488 ' HA ' ' NE ' ' A' ' 50' ' ' ARG . 49.8 mtt180 -72.58 -7.04 48.14 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.878 0.371 . . . . 10.0 110.8 179.724 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 61.4 mtm-85 -84.18 -13.82 51.79 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.147 -0.479 . . . . 10.0 109.97 178.763 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 20.7 m -95.89 134.78 38.46 Favored 'General case' 0 C--O 1.236 0.351 0 CA-C-N 115.695 -0.684 . . . . 10.0 109.892 179.181 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 19.3 mm-40 -120.85 -166.99 1.41 Allowed 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.358 -0.383 . . . . 10.0 110.817 -179.378 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . 0.432 ' O ' ' HB ' ' A' ' 21' ' ' ILE . 11.0 p 60.48 -3.7 0.13 Allowed 'General case' 0 N--CA 1.473 0.711 0 N-CA-C 114.531 1.308 . . . . 10.0 114.531 179.052 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.432 ' HB ' ' O ' ' A' ' 20' ' ' THR . 98.7 mt 71.97 -51.82 0.24 Allowed 'Isoleucine or valine' 0 N--CA 1.474 0.749 0 C-N-CA 122.756 0.422 . . . . 10.0 110.858 -178.952 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -55.3 -39.57 70.05 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.661 -0.7 . . . . 10.0 111.205 179.793 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 5.1 m -65.97 -34.72 78.75 Favored 'General case' 0 C--O 1.235 0.29 0 CA-C-O 121.108 0.48 . . . . 10.0 110.771 179.099 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.493 ' O ' HG12 ' A' ' 28' ' ' ILE . 34.3 tp -68.17 -37.71 81.29 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.958 -0.565 . . . . 10.0 110.646 -179.466 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 19.2 tp10 -64.21 -25.97 68.3 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.039 0.447 . . . . 10.0 111.182 -179.7 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 27.8 mtt85 -80.47 -41.6 24.07 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.565 -0.289 . . . . 10.0 111.583 -179.761 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 13.8 p -68.72 -41.25 82.43 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 C-N-CA 120.906 -0.318 . . . . 10.0 111.308 -178.912 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.493 HG12 ' O ' ' A' ' 24' ' ' LEU . 40.0 pt -67.98 -30.55 48.57 Favored 'Isoleucine or valine' 0 N--CA 1.461 0.1 0 CA-C-O 120.794 0.331 . . . . 10.0 110.46 179.806 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 45.8 tp10 -67.38 -39.85 85.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.984 -0.553 . . . . 10.0 110.181 179.217 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 33.5 mttp -75.6 -47.83 24.88 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.0 -0.546 . . . . 10.0 111.481 -179.516 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . 0.552 ' O ' ' HG ' ' A' ' 35' ' ' LEU . 12.8 m120 -61.81 -24.18 66.7 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.794 0.33 . . . . 10.0 110.796 -179.654 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 18.0 ttmt -57.87 -30.69 66.03 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.911 -0.586 . . . . 10.0 111.083 179.675 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 44.5 m-85 -99.98 5.4 45.16 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.28 -0.418 . . . . 10.0 111.323 -179.31 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 72.9 mt-10 -109.37 -34.06 6.65 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.352 -0.385 . . . . 10.0 111.058 179.789 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.552 ' HG ' ' O ' ' A' ' 31' ' ' ASN . 53.1 mt -67.35 153.29 44.04 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.254 -0.43 . . . . 10.0 111.312 -179.053 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . 0.631 ' HB2' ' OD1' ' A' ' 38' ' ' ASN . 1.3 m -95.03 15.14 19.66 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.961 -0.563 . . . . 10.0 111.313 -178.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . 0.507 ' HB2' ' O ' ' A' ' 36' ' ' SER . 98.5 m-20 78.69 -26.23 0.18 Allowed 'General case' 0 C--O 1.257 1.5 0 C-N-CA 124.733 1.213 . . . . 0.0 111.06 177.337 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . 0.631 ' OD1' ' HB2' ' A' ' 36' ' ' SER . 3.0 p-10 -72.48 -38.62 68.13 Favored 'General case' 0 C--N 1.322 -0.63 0 O-C-N 120.507 -1.371 . . . . 10.0 111.223 -179.024 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -88.91 -12.06 42.77 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.255 0.55 . . . . 10.0 109.828 -179.832 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 54.8 tp -60.63 -26.38 66.99 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.395 -0.821 . . . . 10.0 110.717 179.607 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -59.14 -52.67 64.73 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.153 -0.476 . . . . 10.0 111.231 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 5.7 m -79.03 -24.3 12.85 Favored 'Isoleucine or valine' 0 C--O 1.233 0.236 0 C-N-CA 120.933 -0.307 . . . . 10.0 110.674 179.612 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 49.2 t80 -64.76 -38.61 91.58 Favored 'General case' 0 C--N 1.33 -0.273 0 N-CA-C 109.665 -0.495 . . . . 10.0 109.665 178.902 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 1.6 m-85 -60.05 -45.25 93.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.026 -0.534 . . . . 10.0 109.711 178.541 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . 0.642 ' O ' ' HB2' ' A' ' 49' ' ' HIS . 23.8 m -62.0 -38.92 90.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.72 -0.673 . . . . 10.0 110.666 179.15 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -65.11 -46.4 81.2 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.327 -0.397 . . . . 10.0 111.031 179.827 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -64.3 -49.57 71.26 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.032 -0.531 . . . . 10.0 110.715 179.737 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 18.7 m-20 -59.15 -45.27 91.41 Favored 'General case' 0 N--CA 1.463 0.211 0 CA-C-O 121.251 0.548 . . . . 10.0 110.147 179.593 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' HIS . . . . . 0.642 ' HB2' ' O ' ' A' ' 45' ' ' SER . 0.7 OUTLIER -61.11 -45.96 92.56 Favored 'General case' 0 N--CA 1.462 0.169 0 CA-C-N 115.566 -0.743 . . . . 10.0 110.63 -180.0 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . 0.488 ' NE ' ' HA ' ' A' ' 16' ' ' ARG . 23.0 tpt180 -63.63 -40.72 97.6 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.644 -0.707 . . . . 10.0 111.525 -179.623 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.415 HD23 HG13 ' A' ' 71' ' ' ILE . 35.7 tp -68.18 -40.21 82.34 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.532 -0.304 . . . . 10.0 110.892 -179.679 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -60.3 -50.49 73.41 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.355 -0.384 . . . . 10.0 111.978 -179.738 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -65.74 -34.65 78.69 Favored 'General case' 0 C--O 1.235 0.292 0 CA-C-O 120.822 0.344 . . . . 10.0 111.073 -179.345 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.414 HD12 ' HA ' ' A' ' 54' ' ' LEU . 8.2 tp -73.55 -34.52 65.21 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.271 -0.422 . . . . 10.0 111.508 -179.474 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 78.3 m -71.02 -42.7 69.21 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.83 0.348 . . . . 10.0 111.102 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 95.1 mmm -79.97 -11.88 59.76 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.222 -0.445 . . . . 10.0 110.815 -179.911 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 21.8 t30 61.12 35.3 18.68 Favored 'General case' 0 N--CA 1.464 0.275 0 CA-C-N 115.546 -0.752 . . . . 10.0 111.041 179.73 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 18.8 tptp -151.59 113.75 4.52 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.721 -0.672 . . . . 10.0 109.478 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 2.2 mp -70.3 130.04 40.93 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 116.14 -0.482 . . . . 10.0 111.495 -179.554 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 21.5 m-85 -138.99 139.36 37.87 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.617 -0.72 . . . . 10.0 109.593 179.368 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 69.8 m-20 -60.56 -54.32 46.85 Favored 'General case' 0 CA--C 1.514 -0.407 0 N-CA-C 108.952 -0.758 . . . . 10.0 108.952 178.791 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -101.92 145.2 29.57 Favored 'General case' 0 N--CA 1.446 -0.667 0 N-CA-C 108.076 -1.083 . . . . 10.0 108.076 177.572 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 40.6 mm -104.87 119.11 54.48 Favored Pre-proline 0 C--N 1.319 -0.75 0 C-N-CA 120.384 -0.526 . . . . 10.0 111.265 -179.188 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . 0.429 ' HB2' HG23 ' A' ' 67' ' ' VAL . 48.6 Cg_exo -55.06 143.69 72.59 Favored 'Trans proline' 0 CA--C 1.532 0.405 0 C-N-CA 122.668 2.245 . . . . 10.0 111.54 178.434 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -55.27 -39.35 69.71 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 113.217 0.821 . . . . 10.0 113.217 -177.881 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 97.8 p -69.11 -9.73 54.16 Favored 'General case' 0 C--O 1.258 1.523 0 O-C-N 121.653 -0.654 . . . . 0.0 111.0 -177.251 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.429 HG23 ' HB2' ' A' ' 64' ' ' PRO . 91.1 t -82.51 -29.2 8.87 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.116 0 CA-C-N 119.462 1.028 . . . . 10.0 111.279 -178.579 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' TRP . . . . . 0.491 ' HA ' HD13 ' A' ' 71' ' ' ILE . 64.7 m95 -63.19 -15.78 58.05 Favored 'General case' 0 N--CA 1.466 0.351 0 CA-C-O 121.12 0.486 . . . . 10.0 111.377 -179.51 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 25.4 tptp -73.4 -18.38 61.16 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.893 -0.594 . . . . 10.0 111.529 -179.493 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 33.9 m-85 -96.13 8.38 43.96 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 111.848 0.314 . . . . 10.0 111.848 -178.667 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.491 HD13 ' HA ' ' A' ' 68' ' ' TRP . 1.7 mp -89.42 127.03 42.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-O 121.005 0.431 . . . . 10.0 110.456 -179.917 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 4.7 mmp_? . . . . . 0 C--O 1.251 1.141 0 CA-C-O 118.431 -0.795 . . . . 10.0 110.071 -179.942 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.449 -0.482 0 CA-C-O 120.935 0.397 . . . . 10.0 110.156 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . -78.06 -37.05 47.56 Favored 'General case' 0 N--CA 1.454 -0.263 0 CA-C-N 116.196 -0.456 . . . . 10.0 110.964 -179.916 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 8.1 mp -72.4 -10.18 59.46 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.313 -0.403 . . . . 10.0 111.24 -179.812 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 9.5 tptt -74.68 -49.33 21.69 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.168 -0.469 . . . . 10.0 110.672 -179.627 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 7' ' ' ILE . . . . . . . . . . . . . 26.9 pt -76.63 -16.45 14.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.035 -0.529 . . . . 10.0 111.345 -179.374 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -75.63 -17.02 60.13 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.897 -0.592 . . . . 10.0 112.106 -179.287 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 9' ' ' ASN . . . . . . . . . . . . . 65.3 t30 -81.77 -5.4 58.13 Favored 'General case' 0 C--N 1.33 -0.28 0 C-N-CA 120.999 -0.28 . . . . 10.0 111.639 -178.89 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 10' ' ' ASN . . . . . 0.486 ' OD1' ' HB2' ' B' ' 12' ' ' ARG . 15.5 t-20 -122.08 128.88 51.86 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.233 0.539 . . . . 10.0 110.901 179.423 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 15.4 mt -61.38 -36.54 73.7 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-N 115.202 -0.908 . . . . 10.0 112.29 -178.456 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 12' ' ' ARG . . . . . 0.486 ' HB2' ' OD1' ' B' ' 10' ' ' ASN . 98.0 mtt180 -64.19 -51.13 65.25 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.746 -0.206 . . . . 10.0 111.475 -179.254 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 13' ' ' THR . . . . . 0.485 ' OG1' ' HB3' ' B' ' 10' ' ' ASN . 0.6 OUTLIER -66.64 -36.03 81.6 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.129 0.49 . . . . 10.0 110.862 179.896 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 11.6 tp -61.8 -38.54 88.47 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.524 -0.762 . . . . 10.0 110.969 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 15' ' ' ARG . . . . . 0.423 ' O ' ' HG2' ' B' ' 19' ' ' ARG . 62.3 mtt180 -61.88 -37.96 86.53 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.27 -0.423 . . . . 10.0 111.256 179.673 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 16' ' ' ALA . . . . . . . . . . . . . . . -67.69 -41.87 82.98 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.358 -0.383 . . . . 10.0 112.014 -179.124 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 17' ' ' GLN . . . . . 0.599 ' O ' ' HG2' ' B' ' 20' ' ' GLU . 0.9 OUTLIER -74.11 -27.23 60.77 Favored 'General case' 0 C--N 1.327 -0.392 0 C-N-CA 120.946 -0.302 . . . . 10.0 110.948 -179.391 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -77.15 0.89 19.99 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.962 0.411 . . . . 10.0 111.214 179.808 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 19' ' ' ARG . . . . . 0.423 ' HG2' ' O ' ' B' ' 15' ' ' ARG . 20.8 mmt180 -88.78 -8.88 53.63 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.293 -0.412 . . . . 10.0 110.77 179.833 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 20' ' ' GLU . . . . . 0.599 ' HG2' ' O ' ' B' ' 17' ' ' GLN . 11.2 pt-20 -107.44 8.72 29.65 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.156 0.503 . . . . 10.0 110.845 -179.821 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 21' ' ' CYS . . . . . 0.456 ' SG ' HD13 ' C' ' 5' ' ' LEU . 65.5 m -127.49 133.99 49.84 Favored 'General case' 0 CA--C 1.511 -0.552 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.967 179.571 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -66.81 159.05 28.94 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 116.325 -0.398 . . . . 10.0 110.68 178.16 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 23' ' ' LEU . . . . . 0.612 HD21 ' HD2' ' C' ' 41' ' ' ARG . 29.6 tp -50.84 -44.38 59.41 Favored 'General case' 0 C--N 1.33 -0.26 0 O-C-N 123.445 0.466 . . . . 10.0 111.646 -179.323 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -53.64 -49.32 68.16 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.917 -0.583 . . . . 10.0 112.055 -179.462 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -61.28 -40.46 94.2 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.469 -0.332 . . . . 10.0 111.235 -179.844 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 82.5 mt -64.01 -44.91 91.18 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.02 -0.536 . . . . 10.0 110.434 -179.873 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 8.8 mt-10 -66.1 -43.22 87.87 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.257 -0.428 . . . . 10.0 110.538 179.339 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 15.2 tt0 -61.37 -46.1 91.62 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.119 -0.491 . . . . 10.0 111.24 -179.728 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 29' ' ' MET . . . . . . . . . . . . . 20.7 ptp -68.5 -31.67 71.09 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.685 -0.234 . . . . 10.0 110.99 -179.355 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 52.3 tp -64.82 -43.43 93.15 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 109.736 -0.468 . . . . 10.0 109.736 179.576 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 -63.71 -40.45 96.79 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.72 -0.673 . . . . 10.0 110.476 179.007 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -66.34 -40.32 89.77 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.802 -0.635 . . . . 10.0 110.862 179.831 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 33' ' ' LEU . . . . . 0.459 ' O ' HG23 ' B' ' 37' ' ' VAL . 26.7 tp -70.96 -37.25 72.78 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.035 0.445 . . . . 10.0 110.034 179.057 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 5.2 tp10 -55.5 -52.21 64.43 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.675 -0.693 . . . . 10.0 111.539 179.845 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 35' ' ' VAL . . . . . . . . . . . . . 34.5 m -64.95 -29.85 48.61 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.109 0 CA-C-N 116.65 -0.25 . . . . 10.0 111.494 -179.235 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 24.3 t -69.6 -46.61 75.0 Favored 'Isoleucine or valine' 0 C--O 1.234 0.261 0 N-CA-C 109.709 -0.478 . . . . 10.0 109.709 179.02 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 37' ' ' VAL . . . . . 0.459 HG23 ' O ' ' B' ' 33' ' ' LEU . 48.6 t -65.09 -35.12 74.69 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.161 0 N-CA-C 109.087 -0.709 . . . . 10.0 109.087 178.336 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 56.3 t30 -62.61 -40.68 97.74 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.721 -0.672 . . . . 10.0 109.726 178.699 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 39' ' ' GLU . . . . . 0.516 ' O ' ' HG3' ' B' ' 43' ' ' GLU . 79.7 mt-10 -61.13 -47.39 86.46 Favored 'General case' 0 CA--C 1.52 -0.183 0 CA-C-N 116.026 -0.534 . . . . 10.0 109.76 178.694 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 7.9 mmm180 -64.1 -42.85 96.75 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.894 -0.594 . . . . 10.0 110.191 179.487 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 41' ' ' ARG . . . . . 0.418 HH21 ' CD ' ' C' ' 27' ' ' GLU . 82.8 mtt180 -60.34 -39.85 88.58 Favored 'General case' 0 CA--C 1.521 -0.144 0 CA-C-N 116.119 -0.492 . . . . 10.0 110.271 179.542 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 7.0 tp10 -60.08 -50.93 71.77 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.886 -0.597 . . . . 10.0 109.957 178.851 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 43' ' ' GLU . . . . . 0.516 ' HG3' ' O ' ' B' ' 39' ' ' GLU . 59.0 mt-10 -64.93 -38.45 91.02 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.044 -0.526 . . . . 10.0 110.54 -179.874 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 2.5 tp10 -62.91 -34.62 77.83 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.931 -0.577 . . . . 10.0 111.793 -179.563 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 45' ' ' SER . . . . . . . . . . . . . 3.2 p -92.48 -26.14 18.1 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 112.131 0.419 . . . . 10.0 112.131 -178.76 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.327 -0.373 0 CA-C-O 120.637 0.256 . . . . 10.0 111.359 179.946 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' C' C ' 3' ' ' GLU . . . . . . . . . . . . . 2.7 mp0 . . . . . 0 CA--C 1.528 0.112 0 CA-C-O 120.985 0.421 . . . . 10.0 111.625 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' C' C ' 4' ' ' ALA . . . . . . . . . . . . . . . -81.2 12.28 3.61 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 112.639 0.607 . . . . 10.0 112.639 -178.895 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 5' ' ' LEU . . . . . 0.456 HD13 ' SG ' ' B' ' 21' ' ' CYS . 78.2 mt -124.97 -22.64 4.42 Favored 'General case' 0 C--N 1.328 -0.363 0 C-N-CA 121.055 -0.258 . . . . 10.0 111.517 -179.404 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 6' ' ' LYS . . . . . . . . . . . . . 20.3 tptm -59.1 -48.14 82.68 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 111.789 0.292 . . . . 10.0 111.789 -178.91 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 7' ' ' ILE . . . . . 0.481 HD13 ' H ' ' C' ' 7' ' ' ILE . 0.3 OUTLIER -68.74 -16.36 20.82 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 116.402 -0.363 . . . . 10.0 111.832 -179.523 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' C' C ' 8' ' ' LEU . . . . . . . . . . . . . 3.1 mp -83.74 -17.5 41.01 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.988 0.423 . . . . 10.0 111.361 -179.514 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 9' ' ' ASN . . . . . . . . . . . . . 8.0 t-20 -85.5 -7.59 58.81 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.184 -0.462 . . . . 10.0 111.67 -178.525 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 10' ' ' ASN . . . . . 0.489 ' HB2' ' OG1' ' C' ' 13' ' ' THR . 22.1 m120 -103.73 119.86 39.77 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 109.817 -0.438 . . . . 10.0 109.817 179.399 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 11' ' ' ILE . . . . . . . . . . . . . 12.2 tt -62.27 -27.22 42.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.673 0.273 . . . . 10.0 111.168 -179.213 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 12' ' ' ARG . . . . . . . . . . . . . 38.4 mmt180 -63.57 -53.56 49.78 Favored 'General case' 0 C--O 1.234 0.275 0 CA-C-N 116.588 -0.278 . . . . 10.0 110.542 179.689 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 13' ' ' THR . . . . . 0.489 ' OG1' ' HB2' ' C' ' 10' ' ' ASN . 0.7 OUTLIER -72.28 -37.47 69.03 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.345 -0.389 . . . . 10.0 111.092 179.901 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' C' C ' 14' ' ' LEU . . . . . . . . . . . . . 16.9 tp -59.83 -47.79 84.31 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.03 -0.532 . . . . 10.0 110.863 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 15' ' ' ARG . . . . . 0.416 HH11 ' HD2' ' C' ' 15' ' ' ARG . 36.6 ttm105 -68.46 -23.4 64.59 Favored 'General case' 0 CA--C 1.533 0.297 0 CA-C-O 121.08 0.467 . . . . 10.0 110.787 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 16' ' ' ALA . . . . . . . . . . . . . . . -80.04 -51.3 9.2 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.312 -0.404 . . . . 10.0 110.718 -179.874 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 17' ' ' GLN . . . . . . . . . . . . . 13.3 mt-30 -73.5 -9.89 59.15 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.29 -0.414 . . . . 10.0 111.701 -179.081 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 18' ' ' ALA . . . . . . . . . . . . . . . -74.58 -6.37 48.18 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.004 0.43 . . . . 10.0 110.532 178.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.64 -1.88 57.86 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.004 -0.543 . . . . 10.0 110.243 179.704 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 20' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -72.01 -29.82 64.59 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.85 -0.614 . . . . 10.0 110.787 -179.568 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 21' ' ' CYS . . . . . . . . . . . . . 72.9 m -135.1 160.15 39.27 Favored 'General case' 0 CA--C 1.51 -0.558 0 CA-C-O 121.572 0.701 . . . . 0.0 110.959 -179.806 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 22' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -78.04 168.84 19.26 Favored 'General case' 0 C--O 1.235 0.331 0 CA-C-N 115.445 -0.798 . . . . 10.0 111.079 179.144 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 23.7 tp -57.07 -27.88 62.09 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-N 116.334 -0.394 . . . . 10.0 111.319 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 24' ' ' GLU . . . . . . . . . . . . . 7.5 tp10 -52.86 -62.95 1.32 Allowed 'General case' 0 N--CA 1.463 0.187 0 CA-C-N 116.027 -0.533 . . . . 10.0 110.83 179.726 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 25' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -66.4 -35.89 81.47 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.317 -0.401 . . . . 10.0 111.236 -179.696 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 26' ' ' LEU . . . . . . . . . . . . . 34.8 mt -61.44 -42.3 98.54 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.106 -0.497 . . . . 10.0 111.264 -179.87 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 27' ' ' GLU . . . . . 0.418 ' CD ' HH21 ' B' ' 41' ' ' ARG . 12.1 tt0 -69.13 -46.85 66.61 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.497 -0.319 . . . . 10.0 111.447 -179.246 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 28' ' ' GLU . . . . . 0.431 ' O ' ' HG3' ' C' ' 32' ' ' LYS . 32.5 tt0 -59.08 -37.34 76.86 Favored 'General case' 0 N--CA 1.464 0.254 0 O-C-N 123.055 0.222 . . . . 10.0 111.096 -179.062 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 29' ' ' MET . . . . . . . . . . . . . 19.2 ptp -81.34 -29.53 34.09 Favored 'General case' 0 C--N 1.331 -0.236 0 C-N-CA 120.85 -0.34 . . . . 10.0 111.086 179.641 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 30' ' ' LEU . . . . . . . . . . . . . 11.0 tp -64.1 -47.06 81.49 Favored 'General case' 0 C--O 1.235 0.31 0 CA-C-O 120.952 0.406 . . . . 10.0 110.452 179.631 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 31' ' ' GLU . . . . . 0.468 ' HA ' ' OE2' ' C' ' 34' ' ' GLU . 38.3 mt-10 -64.13 -22.19 66.84 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.448 -0.796 . . . . 10.0 111.062 -179.626 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 32' ' ' LYS . . . . . 0.431 ' HG3' ' O ' ' C' ' 28' ' ' GLU . 93.3 mttt -82.06 -28.68 32.29 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.112 0.482 . . . . 10.0 110.744 179.188 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 33' ' ' LEU . . . . . . . . . . . . . 22.9 tp -77.83 -43.67 29.7 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 116.225 -0.443 . . . . 10.0 112.155 -178.653 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 34' ' ' GLU . . . . . 0.468 ' OE2' ' HA ' ' C' ' 31' ' ' GLU . 13.2 pt-20 -58.93 -35.11 72.55 Favored 'General case' 0 C--N 1.33 -0.26 0 N-CA-C 112.335 0.494 . . . . 10.0 112.335 -178.303 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 35' ' ' VAL . . . . . . . . . . . . . 27.7 m -72.52 -32.08 40.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 C-N-CA 120.464 -0.494 . . . . 10.0 110.835 179.556 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 36' ' ' VAL . . . . . . . . . . . . . 42.0 t -66.96 -44.22 88.73 Favored 'Isoleucine or valine' 0 C--O 1.235 0.291 0 CA-C-O 121.103 0.477 . . . . 10.0 110.229 179.533 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 37' ' ' VAL . . . . . . . . . . . . . 59.0 t -59.92 -37.28 71.46 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 115.734 -0.666 . . . . 10.0 109.909 179.128 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 38' ' ' ASN . . . . . 0.457 ' O ' ' HG3' ' C' ' 42' ' ' GLU . 2.4 t30 -63.14 -40.14 96.72 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.025 -0.534 . . . . 10.0 110.858 179.628 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 39' ' ' GLU . . . . . 0.53 ' O ' ' HG3' ' C' ' 43' ' ' GLU . 2.9 mt-10 -61.99 -43.77 98.14 Favored 'General case' 0 CA--C 1.521 -0.156 0 N-CA-C 109.335 -0.617 . . . . 10.0 109.335 178.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 40' ' ' ARG . . . . . 0.596 ' HD2' ' OE1' ' C' ' 43' ' ' GLU . 8.3 mmm180 -63.94 -34.37 77.82 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.682 -0.69 . . . . 10.0 109.612 178.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 41' ' ' ARG . . . . . 0.612 ' HD2' HD21 ' B' ' 23' ' ' LEU . 11.3 mmm180 -62.83 -46.49 87.71 Favored 'General case' 0 C--N 1.332 -0.167 0 N-CA-C 109.269 -0.641 . . . . 10.0 109.269 178.268 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 42' ' ' GLU . . . . . 0.457 ' HG3' ' O ' ' C' ' 38' ' ' ASN . 44.4 mt-10 -58.95 -36.05 74.17 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.549 -0.75 . . . . 10.0 111.05 -179.867 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 43' ' ' GLU . . . . . 0.596 ' OE1' ' HD2' ' C' ' 40' ' ' ARG . 46.2 mt-10 -72.01 -47.01 54.98 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.78 0.324 . . . . 10.0 110.749 179.914 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 44' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -66.53 -25.78 66.84 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.078 -0.51 . . . . 10.0 111.082 -179.58 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 45' ' ' SER . . . . . . . . . . . . . 50.1 m -82.39 -22.72 35.29 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.923 0.392 . . . . 10.0 110.536 178.495 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 46' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.447 0 CA-C-N 116.346 -0.388 . . . . 10.0 111.717 -179.443 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 5.0 mp . . . . . 0 N--CA 1.481 1.092 0 N-CA-C 109.807 -0.442 . . . . 10.0 109.807 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -72.95 147.57 45.11 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 120.658 0.266 . . . . 10.0 111.529 -179.507 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.444 ' HD2' ' HB2' ' A' ' 45' ' ' SER . 29.2 pttt -64.46 -27.62 69.11 Favored 'General case' 0 CA--C 1.531 0.226 0 CA-C-O 121.046 0.45 . . . . 10.0 110.488 179.528 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -67.82 -29.45 68.61 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.829 -0.623 . . . . 10.0 111.291 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -63.98 -52.21 60.66 Favored 'General case' 0 CA--C 1.52 -0.2 0 CA-C-O 121.121 0.486 . . . . 10.0 109.864 179.878 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.422 ' HB2' ' CB ' ' A' ' 46' ' ' ALA . 6.8 m-85 -63.11 -39.47 94.77 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.612 -0.722 . . . . 10.0 109.908 179.852 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 40.9 tp -57.82 -46.49 84.62 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.766 -0.652 . . . . 10.0 110.88 179.768 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 38.8 mmm -65.52 -38.34 89.38 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.214 -0.448 . . . . 10.0 111.133 -179.751 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.27 -35.92 81.65 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.277 -0.42 . . . . 10.0 110.285 179.316 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.403 ' HG ' ' O ' ' A' ' 11' ' ' TYR . 92.6 mt -80.32 -9.46 59.74 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.018 -0.537 . . . . 10.0 111.429 -179.661 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -72.4 -12.56 61.16 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.449 -0.341 . . . . 10.0 110.549 179.661 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 84.3 mtm-85 -86.58 -7.03 58.7 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.297 -0.411 . . . . 10.0 111.219 -179.866 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 3.9 m -102.71 135.03 45.1 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.421 -0.354 . . . . 10.0 110.43 -179.825 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . 0.426 ' HA ' HD11 ' A' ' 54' ' ' LEU . 1.2 mm-40 -131.24 178.46 6.68 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.352 -0.385 . . . . 10.0 110.529 -179.909 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . 0.424 ' C ' ' H ' ' A' ' 22' ' ' ASP . 2.1 m 68.31 -5.15 0.95 Allowed 'General case' 0 CA--C 1.539 0.523 0 CA-C-N 115.597 -0.728 . . . . 10.0 112.35 179.299 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.415 HD11 ' HA ' ' A' ' 55' ' ' THR . 68.1 mt 73.29 -37.34 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.47 0.544 0 C-N-CA 123.308 0.643 . . . . 10.0 111.267 -179.578 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . 0.424 ' H ' ' C ' ' A' ' 20' ' ' THR . 7.5 t70 -49.13 -50.98 34.88 Favored 'General case' 0 N--CA 1.465 0.29 0 C-N-CA 123.438 0.695 . . . . 10.0 111.648 179.332 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 2.2 m -67.54 -34.41 77.03 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.027 -0.533 . . . . 10.0 111.45 -179.884 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.51 ' O ' HG12 ' A' ' 27' ' ' VAL . 31.3 tp -69.5 -42.77 74.29 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.296 -0.411 . . . . 10.0 111.062 -179.344 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 7.8 tp10 -56.27 -47.78 77.91 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.181 0.515 . . . . 10.0 110.788 179.819 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 2.9 mtm105 -75.21 -28.96 60.16 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.148 -0.478 . . . . 10.0 111.838 -179.18 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.51 HG12 ' O ' ' A' ' 24' ' ' LEU . 0.7 OUTLIER -71.74 -38.22 65.33 Favored 'Isoleucine or valine' 0 C--O 1.234 0.262 0 C-N-CA 120.879 -0.328 . . . . 10.0 111.084 -179.196 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.427 HG12 ' O ' ' A' ' 24' ' ' LEU . 45.7 pt -79.1 -28.81 13.7 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.191 0 CA-C-O 120.849 0.357 . . . . 10.0 110.148 179.504 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 13.0 tp10 -70.82 -43.46 68.56 Favored 'General case' 0 N--CA 1.452 -0.346 0 CA-C-N 115.917 -0.583 . . . . 10.0 109.97 179.526 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 27.2 mttp -64.26 -39.73 94.55 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.988 -0.551 . . . . 10.0 110.879 179.425 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 9.9 m120 -75.15 -21.64 58.66 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.356 -0.384 . . . . 10.0 110.938 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 32.8 ttmt -59.35 -33.5 71.23 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.392 -0.367 . . . . 10.0 111.306 -179.623 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 3.8 m-85 -94.76 8.54 42.2 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.777 0.323 . . . . 10.0 110.744 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 59.7 mt-10 -116.27 -24.76 7.81 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.94 0.4 . . . . 10.0 111.052 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 14.7 mt -68.61 155.3 40.27 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.871 -0.604 . . . . 10.0 110.61 179.83 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . 0.547 ' HB2' ' OD1' ' A' ' 38' ' ' ASN . 0.7 OUTLIER -101.13 15.7 27.87 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 115.952 -0.567 . . . . 10.0 110.531 -178.834 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . 0.468 ' HB2' ' O ' ' A' ' 36' ' ' SER . 98.5 m-20 76.54 -38.96 0.34 Allowed 'General case' 0 C--O 1.257 1.459 0 C-N-CA 124.546 1.138 . . . . 0.0 111.0 177.922 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . 0.547 ' OD1' ' HB2' ' A' ' 36' ' ' SER . 23.5 p-10 -65.53 -33.66 76.44 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 121.027 -1.046 . . . . 10.0 111.68 -179.007 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -93.13 -18.47 22.55 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 109.34 -0.615 . . . . 10.0 109.34 178.743 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 47.0 tp -63.52 -32.4 73.84 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.387 -0.824 . . . . 10.0 110.323 179.771 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -58.06 -44.89 87.73 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 115.767 -0.652 . . . . 10.0 111.515 -179.922 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 31.6 m -87.66 -14.68 9.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.624 0.25 . . . . 10.0 111.143 -179.922 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 59.7 t80 -68.74 -30.63 69.29 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 109.582 -0.525 . . . . 10.0 109.582 178.916 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 11.8 m-85 -62.2 -37.83 86.83 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.711 -0.677 . . . . 10.0 110.711 179.224 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . 0.474 ' O ' ' HB2' ' A' ' 49' ' ' HIS . 0.0 OUTLIER -64.82 -14.18 58.36 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.074 -0.512 . . . . 10.0 111.224 -179.848 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.422 ' CB ' ' HB2' ' A' ' 11' ' ' TYR . . . -103.6 -44.36 5.12 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 109.765 -0.458 . . . . 10.0 109.765 178.893 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -62.72 -55.69 24.36 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.847 -0.615 . . . . 10.0 110.958 179.814 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . 0.404 ' HB3' ' CH2' ' A' ' 68' ' ' TRP . 0.8 OUTLIER -60.24 -44.98 94.76 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 121.063 0.459 . . . . 10.0 110.129 179.69 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' HIS . . . . . 0.474 ' HB2' ' O ' ' A' ' 45' ' ' SER . 3.5 t60 -57.73 -47.66 81.81 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.905 -0.589 . . . . 10.0 110.882 -179.751 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 31.6 tpt180 -68.93 -40.55 78.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.329 -0.396 . . . . 10.0 110.733 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 22.4 tp -60.25 -41.8 93.98 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.8 0.333 . . . . 10.0 110.811 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.478 ' HA ' HD11 ' A' ' 71' ' ' ILE . . . -61.07 -53.11 61.22 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.197 -0.456 . . . . 10.0 111.705 -179.766 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 20.9 pt-20 -67.95 -31.24 70.84 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.242 -0.435 . . . . 10.0 110.874 -179.315 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.426 HD11 ' HA ' ' A' ' 19' ' ' GLN . 16.6 tp -69.86 -38.32 76.38 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.063 -0.517 . . . . 10.0 111.038 -179.754 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . 0.415 ' HA ' HD11 ' A' ' 21' ' ' ILE . 48.1 m -65.67 -39.52 91.41 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.064 0.459 . . . . 10.0 110.419 179.708 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 60.9 mmm -83.59 -7.11 59.58 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.124 -0.489 . . . . 10.0 110.32 179.51 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 33.9 t30 58.4 30.36 19.52 Favored 'General case' 0 N--CA 1.461 0.121 0 CA-C-N 115.42 -0.809 . . . . 10.0 110.228 -179.616 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -142.89 123.29 13.9 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.44 -0.8 . . . . 10.0 110.046 -179.216 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 8.5 mp -70.56 133.48 46.79 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.494 -0.321 . . . . 10.0 110.554 -179.803 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 40.3 m-85 -139.09 127.35 22.69 Favored 'General case' 0 C--O 1.238 0.474 0 CA-C-O 120.906 0.384 . . . . 10.0 110.552 -179.741 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 19.2 p-10 -65.69 -42.06 91.68 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.138 -0.483 . . . . 10.0 109.971 179.608 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 38.0 mttp -114.92 113.91 24.79 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 109.154 -0.684 . . . . 10.0 109.154 178.276 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.423 ' HA ' ' HD3' ' A' ' 64' ' ' PRO . 45.6 mm -76.96 131.71 72.6 Favored Pre-proline 0 C--N 1.319 -0.732 0 CA-C-N 115.855 -0.611 . . . . 10.0 111.678 -178.492 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . 0.423 ' HD3' ' HA ' ' A' ' 63' ' ' ILE . 10.4 Cg_exo -70.55 137.76 33.84 Favored 'Trans proline' 0 C--N 1.349 0.599 0 C-N-CA 122.552 2.168 . . . . 10.0 111.347 178.44 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -71.36 6.77 1.59 Allowed 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 112.961 0.726 . . . . 10.0 112.961 -178.132 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 88.6 p -117.88 -7.12 10.97 Favored 'General case' 0 C--O 1.245 0.855 0 O-C-N 121.689 -0.632 . . . . 0.0 110.987 -179.865 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 5.1 p -73.93 -20.68 17.82 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.776 0 CA-C-O 121.053 0.454 . . . . 10.0 111.532 -178.05 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' TRP . . . . . 0.688 ' HB2' HG21 ' C' ' 35' ' ' VAL . 63.0 m95 -65.67 -17.09 64.35 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.003 -0.544 . . . . 10.0 111.397 -179.278 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 2.2 tppp? -73.27 -18.16 61.25 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.011 0.434 . . . . 10.0 110.722 179.534 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 81.1 m-85 -99.95 9.72 42.47 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.467 -0.333 . . . . 10.0 111.133 -179.41 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.478 HD11 ' HA ' ' A' ' 52' ' ' ALA . 13.2 mt -122.47 138.49 52.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-O 120.577 0.227 . . . . 10.0 110.958 -179.024 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 19.8 mtp85 . . . . . 0 C--O 1.249 1.031 0 CA-C-O 118.511 -0.756 . . . . 10.0 110.135 179.865 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 3' ' ' GLU . . . . . 0.419 ' O ' ' HB3' ' B' ' 6' ' ' LYS . 0.1 OUTLIER . . . . . 0 N--CA 1.456 -0.13 0 CA-C-O 120.855 0.36 . . . . 10.0 110.956 . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . -62.58 -36.95 84.33 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.01 0.433 . . . . 10.0 111.289 -179.92 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 8.6 mp -74.66 -12.01 60.33 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.084 -0.507 . . . . 10.0 111.338 -179.411 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 6' ' ' LYS . . . . . 0.419 ' HB3' ' O ' ' B' ' 3' ' ' GLU . 27.7 ttpt -68.4 -42.02 79.63 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.963 0.411 . . . . 10.0 110.79 179.879 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 7' ' ' ILE . . . . . . . . . . . . . 22.1 pt -89.98 -7.58 10.78 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 CA-C-N 116.262 -0.426 . . . . 10.0 111.53 -179.062 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 9.8 tp -84.83 -5.15 59.33 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.27 0.557 . . . . 10.0 110.148 -179.908 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 9' ' ' ASN . . . . . . . . . . . . . 53.5 t30 -95.13 -6.54 41.62 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.836 -0.62 . . . . 10.0 111.372 -179.331 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 10' ' ' ASN . . . . . . . . . . . . . 23.0 t-20 -126.93 121.16 30.97 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.979 0.419 . . . . 10.0 111.09 -179.427 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 3.4 pt -63.52 -37.55 79.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 N-CA-C 113.057 0.762 . . . . 10.0 113.057 -178.56 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 12' ' ' ARG . . . . . . . . . . . . . 17.6 mtt180 -62.5 -44.29 96.73 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 112.123 0.416 . . . . 10.0 112.123 -178.035 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 13' ' ' THR . . . . . . . . . . . . . 22.8 m -76.35 -39.61 53.43 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 120.95 0.405 . . . . 10.0 110.822 179.875 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 31.6 tp -63.04 -36.78 84.69 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.92 -0.582 . . . . 10.0 110.919 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 40.6 mtt180 -53.48 -47.58 69.68 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.1 -0.5 . . . . 10.0 111.313 179.904 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 16' ' ' ALA . . . . . . . . . . . . . . . -59.81 -43.25 94.57 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.064 -0.516 . . . . 10.0 112.228 -178.794 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 17' ' ' GLN . . . . . . . . . . . . . 1.3 mp0 -72.04 -25.11 61.66 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 116.413 -0.358 . . . . 10.0 111.351 -179.317 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -79.46 -7.92 58.76 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.464 -0.334 . . . . 10.0 111.259 179.791 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 15.4 mmm180 -79.73 -11.54 59.84 Favored 'General case' 0 C--N 1.327 -0.383 0 C-N-CA 121.085 -0.246 . . . . 10.0 111.011 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 1.5 pt-20 -94.05 -2.48 52.84 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-O 120.935 0.397 . . . . 10.0 111.143 -179.709 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 21' ' ' CYS . . . . . 1.66 ' SG ' ' HB ' ' B' ' 25' ' ' THR . 53.8 t -117.31 147.09 42.9 Favored 'General case' 0 CA--C 1.51 -0.563 0 CA-C-O 120.764 0.316 . . . . 0.0 111.008 178.592 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -81.5 171.08 15.12 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.406 -0.361 . . . . 10.0 110.306 179.09 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 31.5 tp -55.51 -44.45 76.63 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.372 -0.376 . . . . 10.0 111.552 -179.76 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -59.84 -48.58 81.12 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.818 0.342 . . . . 10.0 111.74 -179.86 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 25' ' ' THR . . . . . 1.66 ' HB ' ' SG ' ' B' ' 21' ' ' CYS . 0.2 OUTLIER -61.64 -42.69 99.25 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 121.009 0.433 . . . . 10.0 111.543 -179.542 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 26' ' ' LEU . . . . . 0.433 ' O ' ' HG3' ' B' ' 29' ' ' MET . 86.5 mt -65.43 -44.4 87.45 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.091 -0.504 . . . . 10.0 111.009 -179.678 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 27' ' ' GLU . . . . . 0.58 ' O ' ' HG3' ' B' ' 31' ' ' GLU . 6.7 mt-10 -64.56 -44.31 91.15 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.373 -0.376 . . . . 10.0 111.097 179.794 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 5.7 tt0 -56.99 -48.42 78.49 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.275 -0.421 . . . . 10.0 111.699 -178.928 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 29' ' ' MET . . . . . 0.433 ' HG3' ' O ' ' B' ' 26' ' ' LEU . 2.2 ppp? -72.97 -30.7 64.03 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.561 -0.29 . . . . 10.0 111.351 -179.231 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 66.3 tp -62.08 -45.32 94.04 Favored 'General case' 0 C--O 1.234 0.251 0 CA-C-O 120.948 0.404 . . . . 10.0 110.447 179.649 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 31' ' ' GLU . . . . . 0.58 ' HG3' ' O ' ' B' ' 27' ' ' GLU . 24.7 mt-10 -66.55 -32.13 73.29 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.877 -0.602 . . . . 10.0 110.721 -179.74 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 32' ' ' LYS . . . . . 0.566 ' O ' HG22 ' B' ' 35' ' ' VAL . 48.7 mttt -70.92 -37.22 72.9 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.903 0.382 . . . . 10.0 110.758 179.436 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 33' ' ' LEU . . . . . 0.416 ' O ' HG23 ' B' ' 37' ' ' VAL . 48.5 tp -71.77 -38.55 70.33 Favored 'General case' 0 C--N 1.322 -0.591 0 C-N-CA 120.89 -0.324 . . . . 10.0 110.807 179.809 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 34' ' ' GLU . . . . . 0.545 ' HG3' ' N ' ' B' ' 35' ' ' VAL . 0.1 OUTLIER -63.79 -35.26 80.02 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.403 -0.362 . . . . 10.0 111.463 -178.891 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 35' ' ' VAL . . . . . 0.577 HG13 ' O ' ' B' ' 31' ' ' GLU . 13.6 m -69.08 -34.16 62.27 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.175 0 C-N-CA 120.339 -0.544 . . . . 10.0 110.368 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 96.0 t -68.56 -42.08 83.34 Favored 'Isoleucine or valine' 0 C--O 1.232 0.149 0 N-CA-C 109.626 -0.509 . . . . 10.0 109.626 178.835 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 37' ' ' VAL . . . . . 0.416 HG23 ' O ' ' B' ' 33' ' ' LEU . 71.4 t -63.98 -36.93 78.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 N-CA-C 108.891 -0.781 . . . . 10.0 108.891 178.221 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -66.13 -37.48 85.81 Favored 'General case' 0 C--O 1.236 0.346 0 CA-C-N 115.445 -0.798 . . . . 10.0 109.825 178.317 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 39' ' ' GLU . . . . . 0.42 ' HG3' ' O ' ' B' ' 35' ' ' VAL . 89.0 mt-10 -63.85 -47.3 81.29 Favored 'General case' 0 CA--C 1.521 -0.155 0 CA-C-N 115.98 -0.555 . . . . 10.0 109.863 179.026 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 40' ' ' ARG . . . . . 0.495 HH22 ' HA ' ' C' ' 22' ' ' THR . 36.5 mmm-85 -62.79 -42.61 99.78 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.886 -0.597 . . . . 10.0 110.135 178.765 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 41' ' ' ARG . . . . . . . . . . . . . 52.7 mtt180 -56.0 -41.92 75.6 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.197 -0.456 . . . . 10.0 110.256 179.135 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 8.4 tp10 -66.39 -41.22 89.67 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.787 -0.642 . . . . 10.0 110.794 -179.809 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 27.3 mt-10 -66.37 -47.28 73.89 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.283 -0.417 . . . . 10.0 111.189 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -68.22 -31.92 71.76 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 113.228 0.825 . . . . 10.0 113.228 -178.609 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 45' ' ' SER . . . . . . . . . . . . . 10.2 p -75.76 -38.71 58.14 Favored 'General case' 0 C--N 1.324 -0.503 0 C-N-CA 120.668 -0.413 . . . . 10.0 111.073 -179.599 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.435 0 CA-C-O 121.027 0.441 . . . . 10.0 111.342 -179.931 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' C' C ' 3' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.235 0.304 0 CA-C-O 121.043 0.449 . . . . 10.0 111.058 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 4' ' ' ALA . . . . . . . . . . . . . . . -61.98 -36.81 82.58 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.642 -0.708 . . . . 10.0 112.206 -179.171 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 5' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -74.01 -15.03 61.1 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.342 -0.39 . . . . 10.0 111.403 -179.265 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 6' ' ' LYS . . . . . . . . . . . . . 21.6 tptm -82.23 -49.57 9.94 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.712 0.292 . . . . 10.0 111.267 -179.267 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 7' ' ' ILE . . . . . . . . . . . . . 10.3 pt -65.24 -27.17 41.41 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 116.503 -0.317 . . . . 10.0 111.658 -179.236 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 8' ' ' LEU . . . . . . . . . . . . . 3.1 mp -78.81 -7.0 57.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.237 -0.438 . . . . 10.0 111.698 -179.433 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 9' ' ' ASN . . . . . . . . . . . . . 17.3 t-20 -88.38 -10.56 48.94 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.235 0.541 . . . . 10.0 110.272 179.911 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 10' ' ' ASN . . . . . 0.427 HD22 ' HA ' ' C' ' 10' ' ' ASN . 4.7 m120 -101.71 125.41 48.37 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.888 -0.596 . . . . 10.0 109.938 -179.711 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 11' ' ' ILE . . . . . . . . . . . . . 9.8 tp -61.35 -28.07 43.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-N 116.039 -0.528 . . . . 10.0 111.677 -179.174 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 12' ' ' ARG . . . . . . . . . . . . . 38.0 mmt180 -64.68 -55.27 21.1 Favored 'General case' 0 C--O 1.233 0.22 0 CA-C-O 120.725 0.298 . . . . 10.0 111.21 -179.915 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 13' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -70.96 -34.21 71.21 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.446 -0.343 . . . . 10.0 111.704 -179.543 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 14' ' ' LEU . . . . . . . . . . . . . 13.3 tp -58.36 -50.94 71.85 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.096 -0.502 . . . . 10.0 110.779 -179.63 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 15' ' ' ARG . . . . . 0.415 HH11 ' HD2' ' C' ' 15' ' ' ARG . 44.4 ttm180 -68.26 -24.78 64.93 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.886 -0.597 . . . . 10.0 110.715 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 16' ' ' ALA . . . . . . . . . . . . . . . -75.12 -45.74 39.07 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.322 -0.399 . . . . 10.0 111.467 -179.8 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 17' ' ' GLN . . . . . . . . . . . . . 34.5 mt-30 -72.42 -28.09 62.75 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.789 0.328 . . . . 10.0 111.036 -179.881 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 18' ' ' ALA . . . . . . . . . . . . . . . -70.48 -7.67 45.2 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.871 0.367 . . . . 10.0 111.562 -179.89 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 19' ' ' ARG . . . . . . . . . . . . . 48.6 ttm-85 -87.27 -10.82 51.39 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.967 0.413 . . . . 10.0 110.424 179.877 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 20' ' ' GLU . . . . . . . . . . . . . 84.8 mt-10 -78.64 -38.69 39.07 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.049 -0.523 . . . . 10.0 111.011 -179.646 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 21' ' ' CYS . . . . . . . . . . . . . 72.2 m -103.65 164.2 11.82 Favored 'General case' 0 CA--C 1.51 -0.562 0 CA-C-O 121.838 0.828 . . . . 0.0 111.04 -179.647 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 22' ' ' THR . . . . . 0.495 ' HA ' HH22 ' B' ' 40' ' ' ARG . 0.9 OUTLIER -90.05 170.39 10.38 Favored 'General case' 0 N--CA 1.446 -0.627 0 CA-C-N 115.055 -0.975 . . . . 10.0 110.541 179.175 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 49.5 tp -59.36 -30.39 68.36 Favored 'General case' 0 C--N 1.333 -0.125 0 N-CA-C 109.801 -0.444 . . . . 10.0 109.801 179.447 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 24' ' ' GLU . . . . . . . . . . . . . 4.3 tp10 -54.41 -56.17 21.34 Favored 'General case' 0 CA--C 1.532 0.283 0 CA-C-N 115.517 -0.765 . . . . 10.0 110.578 178.72 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 25' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -69.6 -39.32 77.31 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.289 -0.414 . . . . 10.0 111.379 -179.71 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 26' ' ' LEU . . . . . . . . . . . . . 98.8 mt -61.1 -43.04 99.5 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.14 -0.482 . . . . 10.0 111.524 -179.455 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 27' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -65.68 -44.28 86.71 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.516 -0.311 . . . . 10.0 111.669 -179.466 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 28' ' ' GLU . . . . . . . . . . . . . 19.8 tt0 -74.47 -8.88 57.77 Favored 'General case' 0 CA--C 1.536 0.431 0 N-CA-C 111.984 0.365 . . . . 10.0 111.984 -178.443 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 29' ' ' MET . . . . . . . . . . . . . 14.7 ptp -106.04 -27.01 11.4 Favored 'General case' 0 C--N 1.328 -0.337 0 O-C-N 121.863 -0.523 . . . . 10.0 110.273 178.591 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 30' ' ' LEU . . . . . . . . . . . . . 37.9 tp -63.05 -40.3 97.31 Favored 'General case' 0 C--O 1.234 0.239 0 CA-C-O 121.117 0.484 . . . . 10.0 109.869 179.01 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 31' ' ' GLU . . . . . 0.55 ' HA ' ' HG2' ' C' ' 34' ' ' GLU . 11.8 pt-20 -64.97 -29.8 70.75 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.437 -0.802 . . . . 10.0 111.163 -179.933 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 32' ' ' LYS . . . . . . . . . . . . . 22.3 mmtp -69.22 -34.01 74.19 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.05 -0.523 . . . . 10.0 110.504 -179.681 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 33' ' ' LEU . . . . . 0.419 ' O ' HG23 ' C' ' 37' ' ' VAL . 63.7 tp -83.1 -45.36 14.07 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 112.165 0.432 . . . . 10.0 112.165 -178.933 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 34' ' ' GLU . . . . . 0.55 ' HG2' ' HA ' ' C' ' 31' ' ' GLU . 7.7 pt-20 -60.01 -33.59 72.2 Favored 'General case' 0 C--O 1.234 0.257 0 C-N-CA 120.819 -0.352 . . . . 10.0 111.701 -178.54 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 35' ' ' VAL . . . . . 0.688 HG21 ' HB2' ' A' ' 68' ' ' TRP . 9.9 p -72.54 -40.09 62.54 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.459 0 C-N-CA 120.646 -0.422 . . . . 10.0 110.7 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 36' ' ' VAL . . . . . . . . . . . . . 40.8 t -61.97 -42.44 94.8 Favored 'Isoleucine or valine' 0 C--O 1.233 0.195 0 CA-C-O 120.962 0.411 . . . . 10.0 110.423 -179.83 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 37' ' ' VAL . . . . . 0.419 HG23 ' O ' ' C' ' 33' ' ' LEU . 46.2 t -64.01 -37.99 81.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 N-CA-C 109.654 -0.499 . . . . 10.0 109.654 179.121 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 38' ' ' ASN . . . . . 0.466 ' O ' ' HB2' ' C' ' 41' ' ' ARG . 1.7 m-20 -65.56 -32.2 73.66 Favored 'General case' 0 C--O 1.233 0.217 0 CA-C-N 115.708 -0.678 . . . . 10.0 110.516 179.356 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 39' ' ' GLU . . . . . 0.621 ' HG3' ' O ' ' C' ' 35' ' ' VAL . 34.9 mt-10 -67.61 -44.71 77.4 Favored 'General case' 0 C--O 1.234 0.275 0 N-CA-C 109.243 -0.651 . . . . 10.0 109.243 178.469 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 40' ' ' ARG . . . . . . . . . . . . . 8.7 mmm180 -64.04 -31.27 72.4 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.166 -0.925 . . . . 10.0 110.473 179.534 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 41' ' ' ARG . . . . . 0.466 ' HB2' ' O ' ' C' ' 38' ' ' ASN . 7.1 mmm180 -55.85 -55.22 35.15 Favored 'General case' 0 C--O 1.234 0.266 0 CA-C-N 115.685 -0.689 . . . . 10.0 110.466 178.925 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 42' ' ' GLU . . . . . . . . . . . . . 91.0 mt-10 -66.8 -38.86 87.33 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.429 -0.805 . . . . 10.0 111.215 -179.193 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 43' ' ' GLU . . . . . . . . . . . . . 28.7 mt-10 -59.17 -43.81 92.14 Favored 'General case' 0 N--CA 1.463 0.213 0 CA-C-O 121.037 0.446 . . . . 10.0 110.908 179.321 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 44' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -72.2 -40.82 67.58 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.747 -0.66 . . . . 10.0 111.806 -179.048 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 45' ' ' SER . . . . . . . . . . . . . 12.0 m -71.01 -30.26 66.43 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 111.787 0.291 . . . . 10.0 111.787 -178.942 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 46' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.331 -0.224 0 N-CA-C 111.68 0.252 . . . . 10.0 111.68 -179.539 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.481 1.119 0 CA-C-O 120.702 0.286 . . . . 10.0 110.313 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -88.59 152.88 21.55 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.441 -0.345 . . . . 10.0 110.338 179.891 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 15.9 tttt -61.13 -30.15 70.2 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.919 -0.582 . . . . 10.0 109.924 178.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -72.47 -33.56 67.09 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.694 -0.685 . . . . 10.0 111.596 179.521 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 65.3 m-20 -60.69 -53.45 57.24 Favored 'General case' 0 N--CA 1.465 0.278 0 CA-C-N 116.314 -0.403 . . . . 10.0 110.933 -178.807 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 24.7 m-85 -67.91 -33.69 75.19 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.14 -0.482 . . . . 10.0 110.33 -179.833 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 15.4 tp -60.08 -50.36 74.0 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.249 -0.432 . . . . 10.0 110.424 179.508 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -62.24 -38.77 90.51 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.986 0.422 . . . . 10.0 110.706 179.902 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.79 -40.59 95.74 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.87 -0.604 . . . . 10.0 110.766 179.625 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 84.6 mt -84.67 -12.9 52.97 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.205 -0.452 . . . . 10.0 111.512 -179.073 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.537 ' HA ' ' NE ' ' A' ' 50' ' ' ARG . 42.5 mtt180 -77.89 -14.36 59.58 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.934 0.397 . . . . 10.0 110.789 179.781 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 93.9 mtm-85 -83.92 -8.27 59.22 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.366 0.603 . . . . 10.0 109.943 179.092 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 56.7 m -106.51 130.33 54.31 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.58 -0.736 . . . . 10.0 110.047 179.646 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 10.6 mm-40 -119.66 -159.52 0.78 Allowed 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.69 0.281 . . . . 10.0 110.418 -179.437 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . 0.423 ' O ' ' HB ' ' A' ' 21' ' ' ILE . 2.1 m 71.29 -11.12 0.72 Allowed 'General case' 0 N--CA 1.468 0.463 0 N-CA-C 113.146 0.795 . . . . 10.0 113.146 178.324 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.423 ' HB ' ' O ' ' A' ' 20' ' ' THR . 65.2 mt 72.26 -58.96 0.28 Allowed 'Isoleucine or valine' 0 N--CA 1.47 0.556 0 C-N-CA 122.713 0.405 . . . . 10.0 111.039 -179.824 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 17.9 t70 -56.95 -44.18 82.31 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.123 -0.49 . . . . 10.0 110.646 179.652 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 4.6 m -58.82 -38.98 79.87 Favored 'General case' 0 CA--C 1.532 0.278 0 CA-C-N 115.871 -0.604 . . . . 10.0 110.765 179.303 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.446 ' HA ' HG12 ' A' ' 27' ' ' VAL . 18.5 tp -66.22 -44.41 83.9 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.249 -0.432 . . . . 10.0 110.02 179.21 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . 0.434 ' O ' ' HB2' ' A' ' 29' ' ' GLU . 6.8 tp10 -60.27 -30.59 69.55 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.321 0.581 . . . . 10.0 110.874 179.635 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 79.1 mtp180 -82.71 -35.7 26.51 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.928 -0.578 . . . . 10.0 111.946 -179.168 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.446 HG12 ' HA ' ' A' ' 24' ' ' LEU . 7.2 p -73.46 -37.11 49.97 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 C-N-CA 120.643 -0.423 . . . . 10.0 110.979 -179.514 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.428 HG12 ' O ' ' A' ' 24' ' ' LEU . 44.5 pt -73.04 -30.04 30.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-O 121.049 0.452 . . . . 10.0 110.018 179.333 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . 0.434 ' HB2' ' O ' ' A' ' 25' ' ' GLU . 22.8 tp10 -62.69 -52.47 63.17 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.779 -0.646 . . . . 10.0 110.302 179.656 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 27.3 mttp -65.49 -39.76 92.3 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.042 -0.526 . . . . 10.0 110.899 179.6 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . 0.497 ' O ' ' HG ' ' A' ' 35' ' ' LEU . 2.2 t30 -58.63 -37.07 75.12 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.739 -0.664 . . . . 10.0 111.772 -179.053 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 41.2 mtmt -64.02 -29.43 70.58 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.694 -0.23 . . . . 10.0 111.6 -179.491 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 8.8 m-85 -79.9 -18.23 51.1 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.06 0.457 . . . . 10.0 110.794 -179.48 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 74.8 mt-10 -97.09 -28.52 14.09 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.893 -0.594 . . . . 10.0 112.562 -178.534 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.497 ' HG ' ' O ' ' A' ' 31' ' ' ASN . 90.0 mt -63.27 159.97 16.77 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.204 0.526 . . . . 10.0 112.073 -179.13 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . 0.521 ' O ' ' HB2' ' A' ' 37' ' ' ASP . 13.2 m -87.43 1.53 53.15 Favored 'General case' 0 N--CA 1.453 -0.314 0 CA-C-N 115.718 -0.674 . . . . 10.0 111.153 -179.407 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . 0.521 ' HB2' ' O ' ' A' ' 36' ' ' SER . 98.5 m-20 80.8 -26.95 0.14 Allowed 'General case' 0 C--O 1.254 1.325 0 C-N-CA 125.161 1.384 . . . . 0.0 111.041 177.339 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . 0.487 ' OD1' ' HB2' ' A' ' 36' ' ' SER . 4.1 p-10 -74.38 -22.85 58.99 Favored 'General case' 0 C--N 1.322 -0.589 0 O-C-N 121.061 -1.024 . . . . 10.0 111.597 -179.353 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -105.78 -2.7 22.88 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.108 0.48 . . . . 10.0 110.386 -179.942 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 46.3 tp -57.65 -33.36 68.22 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.419 -0.81 . . . . 10.0 111.21 -179.468 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -60.69 -40.59 92.77 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.118 0.485 . . . . 10.0 111.236 179.892 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 3.2 t -72.58 -42.03 63.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.079 -0.51 . . . . 10.0 110.16 -179.818 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 63.1 t80 -62.75 -43.77 97.94 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.492 -0.777 . . . . 10.0 110.685 179.777 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -60.77 -41.8 96.2 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.973 -0.558 . . . . 10.0 110.978 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 23.2 m -61.51 -42.06 98.24 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.983 -0.553 . . . . 10.0 111.465 -179.245 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -71.75 -43.38 65.9 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.243 -0.435 . . . . 10.0 110.922 -179.863 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -60.86 -43.81 97.87 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.203 -0.453 . . . . 10.0 111.235 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 13.7 t70 -59.66 -46.21 89.71 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.702 -0.681 . . . . 10.0 110.643 179.871 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 7.7 t60 -68.03 -35.94 79.1 Favored 'General case' 0 CA--C 1.532 0.282 0 CA-C-N 116.039 -0.528 . . . . 10.0 110.862 -179.762 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . 0.537 ' NE ' ' HA ' ' A' ' 16' ' ' ARG . 23.6 tpt180 -72.03 -41.13 67.86 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.415 -0.357 . . . . 10.0 111.337 -179.793 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 31.0 tp -60.86 -32.43 71.85 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.417 -0.356 . . . . 10.0 110.685 -179.743 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -60.89 -58.32 8.95 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.114 -0.494 . . . . 10.0 111.754 -179.836 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -67.02 -31.03 71.3 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.227 -0.442 . . . . 10.0 111.256 -179.009 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 9.2 tp -66.19 -43.82 85.72 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.31 -0.405 . . . . 10.0 110.492 -179.866 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 16.9 m -70.55 -32.75 70.3 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.986 0.422 . . . . 10.0 110.754 179.751 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 76.5 mmm -78.88 -5.87 54.69 Favored 'General case' 0 C--O 1.236 0.378 0 CA-C-N 115.965 -0.561 . . . . 10.0 111.703 -179.639 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 64.1 t30 59.37 36.54 23.36 Favored 'General case' 0 N--CA 1.463 0.21 0 CA-C-N 115.796 -0.638 . . . . 10.0 111.558 179.449 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 4.5 tppp? -164.54 130.31 2.85 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.328 -0.396 . . . . 10.0 109.971 179.613 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 8.9 mp -74.15 130.43 39.76 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-O 121.083 0.468 . . . . 10.0 111.261 -179.451 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 46.0 m-85 -131.5 132.04 43.91 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.85 -0.614 . . . . 10.0 109.638 179.716 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -64.99 -52.27 57.1 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 108.154 -1.054 . . . . 10.0 108.154 178.547 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 15.0 pttt -113.19 143.61 44.09 Favored 'General case' 0 C--N 1.32 -0.705 0 N-CA-C 107.98 -1.118 . . . . 10.0 107.98 177.85 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 35.8 mm -102.04 117.56 61.15 Favored Pre-proline 0 C--N 1.32 -0.678 0 C-N-CA 120.921 -0.312 . . . . 10.0 110.372 -179.092 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 34.8 Cg_exo -59.83 145.28 98.64 Favored 'Trans proline' 0 CA--C 1.53 0.316 0 C-N-CA 122.958 2.439 . . . . 10.0 112.803 179.555 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -50.12 -49.58 51.33 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 113.587 0.958 . . . . 10.0 113.587 -178.59 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 97.7 p -72.38 -9.23 58.25 Favored 'General case' 0 C--O 1.256 1.403 0 O-C-N 121.412 -0.805 . . . . 0.0 110.945 -177.152 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 38.8 t -82.48 -27.41 8.72 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.198 0 CA-C-N 119.355 0.98 . . . . 10.0 111.135 -178.486 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' TRP . . . . . 0.54 ' HB2' HG11 ' C' ' 35' ' ' VAL . 96.8 m95 -60.17 -20.88 60.58 Favored 'General case' 0 N--CA 1.465 0.292 0 CA-C-O 121.083 0.468 . . . . 10.0 110.85 179.819 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 5.6 tppp? -63.3 -27.28 69.22 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.731 -0.668 . . . . 10.0 111.541 179.884 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 36.5 m-85 -88.38 6.79 35.69 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.989 0.423 . . . . 10.0 111.618 -178.404 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.413 HD13 ' HA ' ' A' ' 68' ' ' TRP . 1.8 mp -100.14 130.09 49.86 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 CA-C-N 116.273 -0.421 . . . . 10.0 109.934 179.725 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 64.7 mtp180 . . . . . 0 C--O 1.249 1.075 0 CA-C-O 118.773 -0.632 . . . . 10.0 110.406 -178.977 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.297 0 CA-C-O 120.81 0.338 . . . . 10.0 110.344 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . -72.27 -43.56 64.1 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.951 -0.568 . . . . 10.0 110.636 -179.923 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 5' ' ' LEU . . . . . 0.43 ' HG ' ' SD ' ' C' ' 29' ' ' MET . 10.3 mp -70.8 -10.96 60.62 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.715 -0.675 . . . . 10.0 110.756 -179.617 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 33.8 ttpt -74.09 -43.41 57.76 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 121.109 0.481 . . . . 10.0 110.753 179.816 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 7' ' ' ILE . . . . . . . . . . . . . 16.5 pt -91.46 -17.63 7.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 116.104 -0.498 . . . . 10.0 111.373 -179.271 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -74.53 -15.18 60.87 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.017 -0.538 . . . . 10.0 111.434 -179.815 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 9' ' ' ASN . . . . . . . . . . . . . 45.7 t30 -90.72 12.5 18.91 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 111.887 0.329 . . . . 10.0 111.887 -179.169 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 10' ' ' ASN . . . . . 0.412 ' OD1' ' HB2' ' B' ' 12' ' ' ARG . 12.3 t-20 -140.42 124.39 17.41 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.041 0.448 . . . . 10.0 110.326 179.284 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 51.4 mt -63.52 -36.54 76.72 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 CA-C-N 115.664 -0.698 . . . . 10.0 112.464 -179.065 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 12' ' ' ARG . . . . . 0.412 ' HB2' ' OD1' ' B' ' 10' ' ' ASN . 93.6 mtt180 -59.32 -51.64 69.08 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 111.812 0.301 . . . . 10.0 111.812 -178.878 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 13' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -68.04 -41.31 82.26 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.944 0.402 . . . . 10.0 110.597 179.408 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 12.3 tp -57.39 -43.61 83.79 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.765 -0.652 . . . . 10.0 111.163 -179.338 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 15' ' ' ARG . . . . . 0.474 ' O ' ' HG2' ' B' ' 19' ' ' ARG . 37.4 mtt85 -59.53 -36.11 75.51 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.366 -0.379 . . . . 10.0 111.09 179.674 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 16' ' ' ALA . . . . . . . . . . . . . . . -76.04 -47.61 24.09 Favored 'General case' 0 C--N 1.331 -0.235 0 N-CA-C 112.315 0.487 . . . . 10.0 112.315 -178.839 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 17' ' ' GLN . . . . . . . . . . . . . 1.6 mp0 -68.11 -27.6 66.6 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.774 0.321 . . . . 10.0 111.311 -179.183 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -73.05 -7.96 53.58 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.494 -0.321 . . . . 10.0 111.485 179.551 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 19' ' ' ARG . . . . . 0.474 ' HG2' ' O ' ' B' ' 15' ' ' ARG . 24.6 mmm180 -75.93 -19.07 59.07 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.487 -0.324 . . . . 10.0 110.781 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 1.8 pt-20 -81.19 -9.74 59.74 Favored 'General case' 0 C--N 1.331 -0.234 0 C-N-CA 120.665 -0.414 . . . . 10.0 110.955 -179.617 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 21' ' ' CYS . . . . . 0.665 ' SG ' HD21 ' B' ' 26' ' ' LEU . 32.0 p -117.44 168.07 10.71 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-O 121.145 0.498 . . . . 0.0 111.012 179.163 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 13.5 p -98.4 176.37 5.71 Favored 'General case' 0 C--O 1.236 0.379 0 CA-C-N 115.839 -0.619 . . . . 10.0 110.622 179.303 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 23' ' ' LEU . . . . . 0.424 HD13 ' HB3' ' C' ' 40' ' ' ARG . 39.5 tp -60.13 -39.54 86.64 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 121.026 0.441 . . . . 10.0 109.818 179.455 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 24' ' ' GLU . . . . . 0.42 ' O ' ' HB2' ' B' ' 28' ' ' GLU . 41.8 tt0 -60.88 -45.79 93.17 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.576 -0.738 . . . . 10.0 111.092 179.824 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 25' ' ' THR . . . . . 0.458 ' HB ' ' HB2' ' B' ' 21' ' ' CYS . 0.2 OUTLIER -63.82 -39.38 94.1 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.774 0.321 . . . . 10.0 110.404 179.499 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 26' ' ' LEU . . . . . 0.665 HD21 ' SG ' ' B' ' 21' ' ' CYS . 46.1 mt -64.62 -47.98 76.57 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.153 -0.476 . . . . 10.0 110.348 179.691 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 27' ' ' GLU . . . . . 0.546 ' OE2' ' HD3' ' C' ' 41' ' ' ARG . 11.2 mt-10 -63.78 -38.69 92.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.912 0.386 . . . . 10.0 110.164 179.085 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 28' ' ' GLU . . . . . 0.469 ' O ' ' HG3' ' B' ' 32' ' ' LYS . 0.0 OUTLIER -59.52 -48.37 81.93 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.742 -0.663 . . . . 10.0 111.295 -179.927 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 29' ' ' MET . . . . . 0.497 ' HG3' ' O ' ' B' ' 26' ' ' LEU . 3.4 ppp? -75.69 -28.16 58.53 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 111.94 0.348 . . . . 10.0 111.94 -178.925 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 55.0 tp -60.34 -45.6 92.87 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.731 0.301 . . . . 10.0 110.627 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 31' ' ' GLU . . . . . 0.462 ' HG3' ' O ' ' B' ' 27' ' ' GLU . 19.5 mt-10 -64.26 -35.84 82.15 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.211 -0.449 . . . . 10.0 110.681 -179.669 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 32' ' ' LYS . . . . . 0.479 ' O ' HG23 ' B' ' 36' ' ' VAL . 54.1 mttm -65.96 -45.13 82.86 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.06 -0.518 . . . . 10.0 111.052 -179.691 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 33' ' ' LEU . . . . . 0.497 ' O ' HG23 ' B' ' 37' ' ' VAL . 20.7 tp -71.4 -36.1 71.26 Favored 'General case' 0 C--N 1.322 -0.596 0 C-N-CA 120.565 -0.454 . . . . 10.0 110.11 179.665 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -57.94 -50.55 72.99 Favored 'General case' 0 C--O 1.234 0.241 0 CA-C-N 116.038 -0.528 . . . . 10.0 110.917 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 35' ' ' VAL . . . . . . . . . . . . . 35.2 m -62.8 -35.04 69.14 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.23 0 C-N-CA 121.103 -0.239 . . . . 10.0 111.126 -179.892 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 36' ' ' VAL . . . . . 0.479 HG23 ' O ' ' B' ' 32' ' ' LYS . 71.2 t -67.1 -42.82 88.78 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-O 120.854 0.359 . . . . 10.0 110.177 179.443 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 37' ' ' VAL . . . . . 0.497 HG23 ' O ' ' B' ' 33' ' ' LEU . 88.5 t -64.31 -40.56 89.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 N-CA-C 109.671 -0.492 . . . . 10.0 109.671 178.918 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 64.1 t30 -63.73 -43.6 96.04 Favored 'General case' 0 C--N 1.33 -0.269 0 N-CA-C 109.452 -0.573 . . . . 10.0 109.452 178.726 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 39' ' ' GLU . . . . . 0.447 ' CD ' HH21 ' C' ' 15' ' ' ARG . 41.8 mt-10 -60.61 -39.39 88.0 Favored 'General case' 0 C--O 1.233 0.229 0 CA-C-N 115.772 -0.649 . . . . 10.0 110.547 178.88 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 10.0 mmm-85 -70.06 -41.47 74.14 Favored 'General case' 0 C--N 1.33 -0.255 0 N-CA-C 109.843 -0.428 . . . . 10.0 109.843 178.6 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 41' ' ' ARG . . . . . . . . . . . . . 93.7 mtt180 -58.6 -42.81 88.98 Favored 'General case' 0 C--N 1.331 -0.213 0 N-CA-C 109.248 -0.649 . . . . 10.0 109.248 178.533 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 8.0 tp10 -55.76 -48.38 75.37 Favored 'General case' 0 CA--C 1.527 0.073 0 CA-C-N 115.611 -0.722 . . . . 10.0 110.155 178.913 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -63.7 -35.15 79.62 Favored 'General case' 0 C--O 1.234 0.288 0 CA-C-N 116.221 -0.445 . . . . 10.0 110.794 179.743 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 44' ' ' GLU . . . . . 0.414 ' HG2' HD22 ' C' ' 23' ' ' LEU . 1.2 tp10 -68.52 -46.56 69.24 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.668 -0.697 . . . . 10.0 111.083 179.913 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 45' ' ' SER . . . . . . . . . . . . . 2.8 p -74.58 -19.93 60.13 Favored 'General case' 0 C--N 1.331 -0.203 0 N-CA-C 111.857 0.317 . . . . 10.0 111.857 -179.389 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.489 0 CA-C-O 121.039 0.447 . . . . 10.0 111.266 179.789 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' C' C ' 3' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.468 0.429 0 N-CA-C 112.255 0.465 . . . . 10.0 112.255 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 4' ' ' ALA . . . . . . . . . . . . . . . -77.64 -12.16 59.94 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 120.925 0.393 . . . . 10.0 111.697 -179.001 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 5' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -81.9 -34.56 29.91 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 120.804 0.335 . . . . 10.0 111.362 -179.277 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 6' ' ' LYS . . . . . . . . . . . . . 5.8 tptm -62.3 -38.75 90.58 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.197 -0.456 . . . . 10.0 111.985 -179.024 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 7' ' ' ILE . . . . . . . . . . . . . 41.5 pt -80.13 -22.17 11.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-N 116.414 -0.357 . . . . 10.0 111.414 -178.94 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 8' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -78.88 -21.2 47.82 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.074 0.464 . . . . 10.0 110.497 -179.633 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 9' ' ' ASN . . . . . . . . . . . . . 14.1 t-20 -89.53 5.15 46.78 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.636 0.731 . . . . 10.0 109.812 179.214 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 10' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -116.01 106.71 14.08 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.841 -0.618 . . . . 10.0 110.564 -179.763 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 11' ' ' ILE . . . . . . . . . . . . . 2.5 tp -56.17 -29.3 27.14 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.37 0 CA-C-N 116.28 -0.418 . . . . 10.0 111.138 179.865 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 12' ' ' ARG . . . . . . . . . . . . . 29.8 mmt180 -63.12 -55.77 22.5 Favored 'General case' 0 C--N 1.333 -0.123 0 CA-C-O 121.038 0.447 . . . . 10.0 110.722 179.891 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 13' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -68.51 -34.43 75.88 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.832 -0.622 . . . . 10.0 110.697 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 14' ' ' LEU . . . . . . . . . . . . . 12.9 tp -62.76 -45.9 90.55 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.748 -0.66 . . . . 10.0 110.808 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 15' ' ' ARG . . . . . 0.447 HH21 ' CD ' ' B' ' 39' ' ' GLU . 72.3 mtt180 -66.4 -14.48 62.21 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.444 -0.343 . . . . 10.0 111.379 179.841 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 16' ' ' ALA . . . . . . . . . . . . . . . -90.26 -54.74 3.88 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.648 0.261 . . . . 10.0 111.359 -179.888 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 17' ' ' GLN . . . . . . . . . . . . . 39.6 tt0 -71.36 -16.86 62.44 Favored 'General case' 0 CA--C 1.532 0.273 0 N-CA-C 111.814 0.301 . . . . 10.0 111.814 -178.582 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 18' ' ' ALA . . . . . . . . . . . . . . . -68.11 -12.63 61.22 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.209 0.528 . . . . 10.0 110.939 179.542 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 19' ' ' ARG . . . . . . . . . . . . . 29.6 mtt180 -95.8 2.99 54.12 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.157 -0.474 . . . . 10.0 110.305 179.834 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 20' ' ' GLU . . . . . . . . . . . . . 23.1 tt0 -86.21 -5.69 59.14 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.794 -0.639 . . . . 10.0 110.14 179.855 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 21' ' ' CYS . . . . . . . . . . . . . 73.0 m -142.26 169.51 17.45 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 121.324 0.583 . . . . 0.0 111.014 179.653 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 22' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -85.77 172.15 11.03 Favored 'General case' 0 N--CA 1.451 -0.385 0 CA-C-N 115.9 -0.591 . . . . 10.0 111.01 179.723 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 23' ' ' LEU . . . . . 0.414 HD22 ' HG2' ' B' ' 44' ' ' GLU . 27.2 tp -61.52 -39.9 92.66 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.16 -0.473 . . . . 10.0 111.772 -179.422 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 24' ' ' GLU . . . . . . . . . . . . . 18.7 tt0 -54.76 -51.33 66.02 Favored 'General case' 0 N--CA 1.463 0.195 0 CA-C-O 120.679 0.276 . . . . 10.0 111.531 -179.197 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 25' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -60.95 -45.14 95.89 Favored 'General case' 0 N--CA 1.452 -0.355 0 CA-C-N 116.416 -0.356 . . . . 10.0 110.946 -179.734 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 26' ' ' LEU . . . . . . . . . . . . . 95.2 mt -62.81 -39.37 94.06 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.163 -0.471 . . . . 10.0 111.172 -179.738 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 27' ' ' GLU . . . . . . . . . . . . . 18.1 tt0 -71.67 -50.39 30.94 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.938 -0.574 . . . . 10.0 111.571 -179.263 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 28' ' ' GLU . . . . . . . . . . . . . 27.6 tt0 -57.16 -41.92 80.09 Favored 'General case' 0 N--CA 1.464 0.239 0 CA-C-O 120.708 0.29 . . . . 10.0 111.172 -179.225 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 29' ' ' MET . . . . . 0.43 ' SD ' ' HG ' ' B' ' 5' ' ' LEU . 19.6 ptp -76.29 -26.87 56.32 Favored 'General case' 0 C--N 1.329 -0.302 0 C-N-CA 120.681 -0.407 . . . . 10.0 111.269 -179.565 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 30' ' ' LEU . . . . . 0.447 HD22 HG21 ' B' ' 37' ' ' VAL . 12.8 tp -65.3 -42.67 92.84 Favored 'General case' 0 C--N 1.331 -0.208 0 N-CA-C 110.015 -0.365 . . . . 10.0 110.015 179.132 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 31' ' ' GLU . . . . . . . . . . . . . 27.2 mt-10 -60.99 -36.63 79.96 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.665 -0.698 . . . . 10.0 110.048 179.467 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 32' ' ' LYS . . . . . 0.506 ' O ' HG23 ' C' ' 36' ' ' VAL . 34.3 mttt -71.99 -22.57 61.41 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.845 -0.616 . . . . 10.0 110.761 179.84 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 33' ' ' LEU . . . . . 0.469 ' O ' HG23 ' C' ' 37' ' ' VAL . 30.5 tp -83.54 -45.42 13.58 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.45 -0.341 . . . . 10.0 110.507 179.45 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 34' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -61.18 -33.22 73.11 Favored 'General case' 0 C--N 1.333 -0.125 0 CA-C-N 116.243 -0.435 . . . . 10.0 111.39 -178.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 35' ' ' VAL . . . . . 0.54 HG11 ' HB2' ' A' ' 68' ' ' TRP . 29.8 m -73.16 -32.61 39.19 Favored 'Isoleucine or valine' 0 C--O 1.228 -0.052 0 C-N-CA 120.501 -0.48 . . . . 10.0 110.786 179.507 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 36' ' ' VAL . . . . . 0.506 HG23 ' O ' ' C' ' 32' ' ' LYS . 71.2 t -69.11 -42.79 81.95 Favored 'Isoleucine or valine' 0 C--O 1.234 0.266 0 N-CA-C 109.144 -0.687 . . . . 10.0 109.144 179.11 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 37' ' ' VAL . . . . . 0.469 HG23 ' O ' ' C' ' 33' ' ' LEU . 38.3 t -66.3 -36.86 78.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 115.542 -0.754 . . . . 10.0 109.046 178.393 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 38' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -66.52 -43.28 85.66 Favored 'General case' 0 CA--C 1.521 -0.144 0 CA-C-N 115.645 -0.707 . . . . 10.0 110.277 179.261 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 39' ' ' GLU . . . . . . . . . . . . . 35.8 mt-10 -55.6 -46.55 77.3 Favored 'General case' 0 CA--C 1.518 -0.255 0 N-CA-C 108.981 -0.748 . . . . 10.0 108.981 178.377 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 40' ' ' ARG . . . . . 0.424 ' HB3' HD13 ' B' ' 23' ' ' LEU . 0.0 OUTLIER -60.94 -44.75 96.8 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 114.881 -1.054 . . . . 10.0 110.169 178.931 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' C' C ' 41' ' ' ARG . . . . . 0.546 ' HD3' ' OE2' ' B' ' 27' ' ' GLU . 7.5 mmm180 -58.71 -52.54 65.27 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.808 -0.633 . . . . 10.0 111.316 179.879 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 42' ' ' GLU . . . . . . . . . . . . . 31.0 mt-10 -59.51 -47.03 87.09 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.652 -0.703 . . . . 10.0 111.182 -179.595 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 43' ' ' GLU . . . . . . . . . . . . . 54.7 mm-40 -63.02 -43.9 97.45 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.181 -0.463 . . . . 10.0 111.145 -179.529 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 44' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -64.66 -39.96 94.6 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.144 -0.48 . . . . 10.0 110.771 179.788 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 45' ' ' SER . . . . . . . . . . . . . 55.0 m -72.76 -15.02 61.66 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.166 -0.47 . . . . 10.0 111.707 -179.682 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 46' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.299 0 CA-C-O 120.968 0.413 . . . . 10.0 110.354 179.567 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 2.1 mp . . . . . 0 N--CA 1.48 1.037 0 N-CA-C 110.04 -0.355 . . . . 10.0 110.04 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -80.71 153.93 27.57 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.129 -0.487 . . . . 10.0 111.65 -179.367 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 80.5 tttt -58.87 -39.76 82.34 Favored 'General case' 0 C--O 1.236 0.355 0 CA-C-N 115.939 -0.573 . . . . 10.0 110.852 179.909 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -66.52 -30.77 71.17 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.712 -0.676 . . . . 10.0 111.726 -179.944 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 48.2 m-20 -65.73 -45.66 81.82 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.193 -0.458 . . . . 10.0 110.354 -179.821 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 62.1 m-85 -66.51 -40.08 89.02 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 109.518 -0.549 . . . . 10.0 109.518 178.756 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 58.6 tp -56.95 -46.16 82.29 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 114.993 -1.003 . . . . 10.0 111.276 179.901 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 87.6 mmm -63.82 -38.18 90.12 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.907 0.384 . . . . 10.0 110.922 -179.888 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.46 -26.39 66.36 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.152 -0.476 . . . . 10.0 110.662 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 91.0 mt -94.67 -8.99 36.28 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.11 -0.495 . . . . 10.0 111.509 -179.643 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -69.1 -24.29 64.1 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.952 0.406 . . . . 10.0 110.558 -179.708 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 61.7 mtm-85 -76.7 -27.26 55.42 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.03 -0.532 . . . . 10.0 110.233 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 8.5 m -82.88 122.4 28.19 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.788 -0.642 . . . . 10.0 111.058 -179.256 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -125.52 -165.76 1.46 Allowed 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.727 -0.67 . . . . 10.0 109.225 179.35 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . 0.403 ' O ' ' HB ' ' A' ' 21' ' ' ILE . 5.4 m 73.54 -18.39 0.38 Allowed 'General case' 0 CA--C 1.541 0.61 0 N-CA-C 112.385 0.513 . . . . 10.0 112.385 179.062 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.403 ' HB ' ' O ' ' A' ' 20' ' ' THR . 81.5 mt 74.45 -48.85 0.19 Allowed 'Isoleucine or valine' 0 N--CA 1.47 0.575 0 C-N-CA 123.32 0.648 . . . . 10.0 111.187 -179.533 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 20.1 t70 -52.45 -49.67 64.16 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.705 -0.68 . . . . 10.0 111.382 179.772 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -74.19 -26.43 60.28 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.449 -0.342 . . . . 10.0 111.416 179.77 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 49.6 tp -67.51 -38.55 84.44 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.208 -0.451 . . . . 10.0 110.748 -179.71 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 7.0 mt-10 -74.61 -7.4 53.05 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.465 -0.334 . . . . 10.0 111.28 179.847 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 5.0 mtt85 -91.18 -39.9 11.86 Favored 'General case' 0 C--N 1.328 -0.351 0 C-N-CA 121.044 -0.262 . . . . 10.0 111.194 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 9.3 p -67.53 -38.25 80.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 120.957 0.408 . . . . 10.0 110.302 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 46.8 pt -70.47 -27.43 31.38 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-O 121.136 0.493 . . . . 10.0 109.962 179.025 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 34.2 tp10 -69.68 -43.14 73.11 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.637 -0.71 . . . . 10.0 109.354 178.805 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 6.8 tttp -67.52 -48.56 66.67 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.654 -0.703 . . . . 10.0 110.557 179.518 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . 0.559 ' O ' ' HG ' ' A' ' 35' ' ' LEU . 0.9 OUTLIER -60.37 -28.81 68.49 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.435 -0.802 . . . . 10.0 111.385 -179.396 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 28.3 ttmt -53.5 -40.96 65.82 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.842 0.353 . . . . 10.0 111.601 179.825 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 34.9 m-85 -90.9 -23.53 20.47 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.81 0.338 . . . . 10.0 111.319 -179.157 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 21.9 mt-10 -78.03 -35.96 49.17 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.494 -0.321 . . . . 10.0 111.532 -179.253 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.559 ' HG ' ' O ' ' A' ' 31' ' ' ASN . 92.1 mt -66.53 165.01 15.36 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.928 0.394 . . . . 10.0 111.289 -179.136 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . 0.443 ' O ' ' HB2' ' A' ' 37' ' ' ASP . 67.0 m -93.42 8.92 38.64 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.093 -0.503 . . . . 10.0 110.977 -179.84 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . 0.443 ' HB2' ' O ' ' A' ' 36' ' ' SER . 98.4 m-20 75.32 -14.29 0.78 Allowed 'General case' 0 C--O 1.261 1.663 0 C-N-CA 124.554 1.142 . . . . 0.0 111.064 177.136 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 2.2 p-10 -86.19 -30.16 22.64 Favored 'General case' 0 C--N 1.328 -0.347 0 O-C-N 119.77 -1.831 . . . . 10.0 110.959 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -93.98 -2.78 52.59 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.271 0.558 . . . . 10.0 110.122 -179.842 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 32.7 tp -60.35 -25.71 66.04 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.438 -0.801 . . . . 10.0 110.932 179.799 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -61.72 -54.51 41.59 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.973 -0.558 . . . . 10.0 111.397 -179.67 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 5.4 m -73.5 -28.8 25.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-O 120.827 0.346 . . . . 10.0 110.995 -179.493 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 81.5 t80 -66.89 -40.65 87.82 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.111 -0.495 . . . . 10.0 110.132 179.378 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -65.13 -40.02 93.87 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.032 -0.531 . . . . 10.0 110.33 179.224 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -61.18 -33.9 74.18 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.161 -0.472 . . . . 10.0 110.14 179.306 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -73.27 -46.22 51.22 Favored 'General case' 0 N--CA 1.454 -0.237 0 CA-C-N 116.043 -0.526 . . . . 10.0 110.38 179.516 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -61.83 -46.55 89.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.907 -0.588 . . . . 10.0 110.109 179.295 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -54.69 -51.47 65.41 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.537 -0.756 . . . . 10.0 110.077 178.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' HIS . . . . . 0.427 ' O ' ' HG2' ' A' ' 53' ' ' GLU . 2.9 t60 -62.03 -44.63 96.3 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.104 -0.953 . . . . 10.0 111.345 -179.027 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 25.2 tpt180 -67.26 -40.88 86.28 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.353 -0.385 . . . . 10.0 111.606 -179.15 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 53.8 tp -67.3 -38.55 85.16 Favored 'General case' 0 C--N 1.323 -0.559 0 C-N-CA 121.069 -0.252 . . . . 10.0 110.606 -179.789 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -60.27 -49.12 78.88 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.343 -0.39 . . . . 10.0 111.935 -179.657 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . 0.427 ' HG2' ' O ' ' A' ' 49' ' ' HIS . 10.4 pt-20 -68.99 -32.48 72.08 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 120.767 0.318 . . . . 10.0 110.854 -179.85 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.402 HD12 ' HA ' ' A' ' 54' ' ' LEU . 13.8 tp -71.86 -34.12 68.97 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.414 -0.357 . . . . 10.0 110.229 179.511 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 86.5 m -68.67 -36.11 78.11 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 121.233 0.54 . . . . 10.0 109.973 178.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 76.5 mmm -83.7 -5.84 59.29 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.718 -0.674 . . . . 10.0 110.29 179.023 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 6.3 t30 55.4 46.75 22.67 Favored 'General case' 0 C--O 1.234 0.258 0 CA-C-N 115.487 -0.779 . . . . 10.0 110.701 -179.566 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 4.5 tppp? -166.23 126.82 1.72 Allowed 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.462 -0.79 . . . . 10.0 109.171 179.696 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 7.1 mp -68.24 127.29 32.4 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.231 0.538 . . . . 10.0 110.624 -179.881 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 25.7 m-85 -126.05 128.25 47.12 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.623 -0.717 . . . . 10.0 110.794 -179.403 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 14.4 t70 -66.78 -47.03 73.42 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 107.608 -1.256 . . . . 10.0 107.608 177.655 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 43.0 tptt -116.3 123.41 47.6 Favored 'General case' 0 N--CA 1.449 -0.481 0 CA-C-N 114.532 -1.213 . . . . 10.0 108.354 178.17 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.414 HG12 ' CE1' ' A' ' 49' ' ' HIS . 45.4 mm -82.93 123.09 78.16 Favored Pre-proline 0 C--N 1.322 -0.627 0 CA-C-N 116.542 -0.299 . . . . 10.0 111.416 -179.096 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 31.6 Cg_exo -59.12 140.98 97.49 Favored 'Trans proline' 0 C--N 1.349 0.601 0 C-N-CA 122.216 1.944 . . . . 10.0 110.978 178.158 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -55.21 -35.72 65.2 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 112.996 0.739 . . . . 10.0 112.996 -178.061 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 97.6 p -73.41 -7.63 52.51 Favored 'General case' 0 C--O 1.26 1.631 0 O-C-N 121.746 -0.596 . . . . 0.0 111.023 -176.588 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 89.4 t -83.33 -28.14 7.75 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.934 0 CA-C-N 120.11 1.323 . . . . 10.0 111.435 -179.059 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' TRP . . . . . 0.41 ' HB3' ' CD1' ' B' ' 11' ' ' ILE . 60.5 m95 -61.5 -19.74 62.41 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 112.179 0.437 . . . . 10.0 112.179 -178.895 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 20.5 tptp -68.07 -22.15 64.94 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.729 0.3 . . . . 10.0 111.157 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 80.9 m-85 -99.88 10.03 42.0 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.444 -0.343 . . . . 10.0 111.716 -178.889 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -77.46 138.34 20.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-O 121.024 0.44 . . . . 10.0 110.013 179.508 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.247 0.936 0 CA-C-O 118.04 -0.981 . . . . 10.0 108.866 179.351 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.532 0.279 0 CA-C-O 120.565 0.221 . . . . 10.0 111.022 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . -73.71 -49.41 25.83 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.845 0.355 . . . . 10.0 111.129 -179.601 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 8.6 mp -66.58 -11.28 52.46 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.918 -0.583 . . . . 10.0 111.248 -179.59 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 84.0 tttt -81.11 -47.94 12.83 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.94 -0.573 . . . . 10.0 110.912 -179.742 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 7' ' ' ILE . . . . . . . . . . . . . 31.0 pt -79.72 -24.81 12.13 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 CA-C-N 116.166 -0.47 . . . . 10.0 111.089 -179.805 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 8' ' ' LEU . . . . . 0.454 HD23 ' SD ' ' C' ' 29' ' ' MET . 35.2 tp -77.13 -12.7 59.98 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.977 -0.556 . . . . 10.0 110.97 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 9' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 -79.92 -18.38 50.68 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.371 -0.377 . . . . 10.0 111.384 -179.48 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 10' ' ' ASN . . . . . 0.402 ' OD1' ' HB2' ' B' ' 12' ' ' ARG . 23.7 t-20 -118.09 136.24 53.7 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.272 0.558 . . . . 10.0 110.539 -179.869 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 11' ' ' ILE . . . . . 0.41 ' CD1' ' HB3' ' A' ' 68' ' ' TRP . 3.3 mt -75.95 -27.22 18.1 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 N-CA-C 113.2 0.815 . . . . 10.0 113.2 -177.882 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 12' ' ' ARG . . . . . 0.402 ' HB2' ' OD1' ' B' ' 10' ' ' ASN . 93.1 mtt180 -62.81 -37.77 88.08 Favored 'General case' 0 N--CA 1.465 0.321 0 CA-C-O 120.792 0.329 . . . . 10.0 110.841 -179.242 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 13' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -79.06 -41.79 27.94 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.167 0.508 . . . . 10.0 110.501 179.121 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 28.1 tp -62.82 -41.31 99.26 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.566 -0.743 . . . . 10.0 111.758 -179.154 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 15' ' ' ARG . . . . . 0.419 ' O ' ' HG2' ' B' ' 19' ' ' ARG . 17.3 mtt180 -58.27 -29.93 66.19 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.725 -0.216 . . . . 10.0 111.413 -179.801 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 16' ' ' ALA . . . . . . . . . . . . . . . -90.86 -38.98 12.59 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.117 0.484 . . . . 10.0 111.084 -179.746 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 17' ' ' GLN . . . . . . . . . . . . . 14.4 tp60 -64.03 -34.4 77.92 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.066 -0.516 . . . . 10.0 111.439 -179.617 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -79.88 4.17 17.52 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 112.273 0.472 . . . . 10.0 112.273 -179.004 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 19' ' ' ARG . . . . . 0.419 ' HG2' ' O ' ' B' ' 15' ' ' ARG . 25.4 mmm180 -85.48 -16.49 39.41 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 122.2 -0.313 . . . . 10.0 111.342 -179.506 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -95.45 7.37 46.43 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.099 0.476 . . . . 10.0 110.703 -179.761 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 21' ' ' CYS . . . . . . . . . . . . . 79.0 m -127.8 138.9 52.89 Favored 'General case' 0 CA--C 1.51 -0.561 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.009 178.427 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -68.62 161.95 26.96 Favored 'General case' 0 C--N 1.313 -1.015 0 O-C-N 124.184 0.927 . . . . 10.0 111.37 179.007 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 23' ' ' LEU . . . . . 0.446 HD21 ' HD2' ' C' ' 41' ' ' ARG . 17.9 tp -57.92 -39.95 79.2 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.342 -0.39 . . . . 10.0 110.427 179.67 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 24' ' ' GLU . . . . . 0.401 ' O ' ' HB2' ' B' ' 28' ' ' GLU . 7.7 tt0 -53.68 -53.43 52.18 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.788 -0.642 . . . . 10.0 111.103 179.746 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -64.62 -38.07 89.75 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.127 -0.488 . . . . 10.0 111.635 -179.354 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 26' ' ' LEU . . . . . 0.42 ' O ' ' HG2' ' B' ' 29' ' ' MET . 83.2 mt -66.09 -50.58 63.6 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.843 -0.617 . . . . 10.0 111.433 -179.271 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 27' ' ' GLU . . . . . 0.473 ' OE1' ' HD3' ' C' ' 41' ' ' ARG . 27.3 tt0 -65.02 -38.27 90.34 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.027 0.441 . . . . 10.0 110.18 -179.864 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 28' ' ' GLU . . . . . 0.401 ' HB2' ' O ' ' B' ' 24' ' ' GLU . 5.9 tm-20 -61.36 -45.87 92.6 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.799 -0.637 . . . . 10.0 110.646 179.897 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 29' ' ' MET . . . . . 0.42 ' HG2' ' O ' ' B' ' 26' ' ' LEU . 16.9 ptp -72.02 -30.21 64.98 Favored 'General case' 0 N--CA 1.463 0.192 0 CA-C-O 121.033 0.444 . . . . 10.0 110.058 179.63 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 15.6 tp -63.25 -46.28 87.64 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.016 -0.538 . . . . 10.0 110.061 178.75 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -60.31 -33.47 72.42 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.83 -0.623 . . . . 10.0 110.637 179.709 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -68.27 -39.45 82.16 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.175 -0.466 . . . . 10.0 110.495 179.552 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 22.6 tp -71.93 -34.88 69.43 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 109.657 -0.498 . . . . 10.0 109.657 179.024 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 17.5 tp10 -57.64 -51.71 68.41 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.809 -0.632 . . . . 10.0 110.79 179.229 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 35' ' ' VAL . . . . . . . . . . . . . 26.4 m -65.95 -31.27 52.96 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.305 0 CA-C-N 116.696 -0.229 . . . . 10.0 111.577 -179.466 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 42.5 t -69.92 -47.3 70.1 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-O 120.955 0.407 . . . . 10.0 110.21 179.566 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 87.0 t -66.68 -36.29 76.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-O 121.063 0.459 . . . . 10.0 109.96 179.089 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 27.3 t-20 -60.98 -39.45 89.67 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.13 -0.486 . . . . 10.0 109.989 178.721 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 39' ' ' GLU . . . . . 0.427 ' O ' ' HG3' ' B' ' 43' ' ' GLU . 23.7 mt-10 -63.52 -49.73 72.34 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.958 -0.564 . . . . 10.0 109.777 178.654 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 20.5 mmm-85 -58.04 -36.08 72.23 Favored 'General case' 0 C--O 1.232 0.148 0 CA-C-N 115.974 -0.557 . . . . 10.0 110.41 179.575 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 41' ' ' ARG . . . . . . . . . . . . . 69.4 mtt180 -58.71 -46.46 87.28 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.787 -0.642 . . . . 10.0 109.913 178.756 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -70.34 -39.74 74.53 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.4 -0.818 . . . . 10.0 110.906 -179.631 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 43' ' ' GLU . . . . . 0.427 ' HG3' ' O ' ' B' ' 39' ' ' GLU . 78.8 mt-10 -58.16 -39.53 79.08 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.926 0.393 . . . . 10.0 111.576 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -77.7 -45.91 23.43 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 116.15 -0.477 . . . . 10.0 112.279 -178.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 45' ' ' SER . . . . . . . . . . . . . 13.4 p -69.69 -36.67 76.17 Favored 'General case' 0 C--N 1.327 -0.413 0 N-CA-C 112.267 0.469 . . . . 10.0 112.267 -178.494 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.322 0 N-CA-C 111.854 0.316 . . . . 10.0 111.854 -179.273 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' C' C ' 3' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.521 -0.162 0 N-CA-C 109.58 -0.526 . . . . 10.0 109.58 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 4' ' ' ALA . . . . . . . . . . . . . . . -66.68 -34.8 78.65 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.576 -0.738 . . . . 10.0 110.8 179.699 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 5' ' ' LEU . . . . . . . . . . . . . 64.3 mt -79.63 -10.64 59.82 Favored 'General case' 0 CA--C 1.532 0.285 0 CA-C-N 116.326 -0.397 . . . . 10.0 110.992 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 6' ' ' LYS . . . . . . . . . . . . . 21.2 tptm -72.1 -55.42 7.36 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.414 -0.357 . . . . 10.0 110.567 -179.744 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 7' ' ' ILE . . . . . 0.457 HD13 ' H ' ' C' ' 7' ' ' ILE . 0.2 OUTLIER -75.44 -12.23 14.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.992 0.425 . . . . 10.0 110.769 -179.668 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' C' C ' 8' ' ' LEU . . . . . 0.549 HD12 HD13 ' C' ' 14' ' ' LEU . 12.4 tp -72.0 -21.93 61.49 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.707 -0.679 . . . . 10.0 110.469 179.794 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 9' ' ' ASN . . . . . . . . . . . . . 7.9 t-20 -91.9 -5.75 52.67 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.148 -0.478 . . . . 10.0 110.371 179.669 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 10' ' ' ASN . . . . . . . . . . . . . 74.7 m-20 -92.16 108.53 20.01 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.096 -0.502 . . . . 10.0 110.344 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 11' ' ' ILE . . . . . 0.418 ' O ' ' HB2' ' C' ' 15' ' ' ARG . 1.8 tp -58.03 -35.47 52.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-N 116.388 -0.369 . . . . 10.0 111.385 -179.485 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 12' ' ' ARG . . . . . . . . . . . . . 14.9 mmt85 -71.15 -50.12 36.71 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.622 0.249 . . . . 10.0 111.273 -179.749 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 13' ' ' THR . . . . . . . . . . . . . 1.8 m -65.53 -41.72 92.79 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.121 0.486 . . . . 10.0 111.221 -179.73 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 14' ' ' LEU . . . . . 0.549 HD13 HD12 ' C' ' 8' ' ' LEU . 50.6 tp -61.76 -48.51 80.35 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.713 -0.676 . . . . 10.0 110.695 179.939 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 15' ' ' ARG . . . . . 0.418 ' HB2' ' O ' ' C' ' 11' ' ' ILE . 24.3 ttt-85 -60.93 -30.47 70.23 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.141 -0.482 . . . . 10.0 110.985 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 16' ' ' ALA . . . . . . . . . . . . . . . -77.31 -45.94 24.59 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.312 -0.404 . . . . 10.0 111.86 -179.748 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 17' ' ' GLN . . . . . . . . . . . . . 2.0 tt0 -75.31 -21.93 58.07 Favored 'General case' 0 C--N 1.331 -0.231 0 C-N-CA 121.068 -0.253 . . . . 10.0 111.48 -179.269 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 18' ' ' ALA . . . . . 0.455 ' O ' HD11 ' C' ' 26' ' ' LEU . . . -67.73 -18.41 64.89 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.073 0.463 . . . . 10.0 110.662 179.306 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 19' ' ' ARG . . . . . . . . . . . . . 98.0 mtt180 -84.07 5.91 24.2 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.304 -0.407 . . . . 10.0 111.172 -179.811 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 20' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -87.07 -14.4 41.57 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.21 -0.45 . . . . 10.0 111.194 179.458 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 21' ' ' CYS . . . . . . . . . . . . . 73.1 m -133.1 168.96 17.56 Favored 'General case' 0 CA--C 1.512 -0.519 0 CA-C-O 121.474 0.654 . . . . 0.0 110.974 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 22' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -76.69 166.27 23.6 Favored 'General case' 0 N--CA 1.45 -0.442 0 CA-C-N 115.072 -0.967 . . . . 10.0 111.47 179.904 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 60.7 tp -62.48 -33.21 74.4 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.206 -0.452 . . . . 10.0 110.965 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 24' ' ' GLU . . . . . . . . . . . . . 4.5 tt0 -56.1 -54.65 42.5 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.316 -0.402 . . . . 10.0 110.831 179.901 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 25' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -67.11 -40.75 86.92 Favored 'General case' 0 N--CA 1.449 -0.507 0 CA-C-N 116.073 -0.512 . . . . 10.0 111.328 -179.828 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 26' ' ' LEU . . . . . 0.455 HD11 ' O ' ' C' ' 18' ' ' ALA . 89.8 mt -60.53 -46.04 91.61 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.176 0.512 . . . . 10.0 110.951 179.406 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 27' ' ' GLU . . . . . 0.504 ' O ' ' HG3' ' C' ' 31' ' ' GLU . 41.1 tt0 -67.7 -48.99 65.0 Favored 'General case' 0 N--CA 1.447 -0.602 0 CA-C-N 115.859 -0.61 . . . . 10.0 110.785 -179.734 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 28' ' ' GLU . . . . . 0.489 ' O ' ' HG3' ' C' ' 32' ' ' LYS . 3.8 tt0 -57.5 -39.54 76.69 Favored 'General case' 0 N--CA 1.461 0.121 0 O-C-N 123.069 0.23 . . . . 10.0 110.93 -179.479 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 29' ' ' MET . . . . . 0.454 ' SD ' HD23 ' B' ' 8' ' ' LEU . 13.2 ptp -73.89 -31.56 63.17 Favored 'General case' 0 C--N 1.331 -0.203 0 C-N-CA 120.449 -0.5 . . . . 10.0 110.719 179.926 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 30' ' ' LEU . . . . . . . . . . . . . 12.6 tp -66.81 -40.4 88.04 Favored 'General case' 0 C--O 1.232 0.148 0 N-CA-C 109.342 -0.614 . . . . 10.0 109.342 178.625 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 31' ' ' GLU . . . . . 0.504 ' HG3' ' O ' ' C' ' 27' ' ' GLU . 52.2 mt-10 -62.81 -31.62 72.65 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.256 -0.884 . . . . 10.0 110.435 179.623 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 32' ' ' LYS . . . . . 0.489 ' HG3' ' O ' ' C' ' 28' ' ' GLU . 85.1 mttt -81.03 -16.89 52.04 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.067 -0.515 . . . . 10.0 110.405 179.817 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 33' ' ' LEU . . . . . 0.594 ' O ' HG12 ' C' ' 36' ' ' VAL . 50.1 tp -86.27 -40.2 15.77 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.149 -0.478 . . . . 10.0 110.508 179.609 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 34' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -66.9 -30.59 70.78 Favored 'General case' 0 C--N 1.326 -0.454 0 C-N-CA 120.934 -0.306 . . . . 10.0 111.327 -179.551 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 35' ' ' VAL . . . . . . . . . . . . . 27.1 m -73.87 -33.97 38.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 C-N-CA 120.973 -0.291 . . . . 10.0 111.335 -179.824 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 36' ' ' VAL . . . . . 0.594 HG12 ' O ' ' C' ' 33' ' ' LEU . 3.8 p -71.97 -31.07 39.17 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.17 0 N-CA-C 109.381 -0.6 . . . . 10.0 109.381 179.135 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 37' ' ' VAL . . . . . . . . . . . . . 77.9 t -72.57 -36.37 53.6 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.341 0 N-CA-C 108.893 -0.781 . . . . 10.0 108.893 178.148 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 38' ' ' ASN . . . . . . . . . . . . . 2.0 t30 -59.05 -42.17 89.63 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.513 -0.767 . . . . 10.0 109.451 178.411 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 39' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -61.6 -34.89 76.41 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 115.512 -0.767 . . . . 10.0 110.115 179.408 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 40' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -73.64 -30.45 62.95 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.873 -0.603 . . . . 10.0 109.903 178.706 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 41' ' ' ARG . . . . . 0.473 ' HD3' ' OE1' ' B' ' 27' ' ' GLU . 10.3 mmm180 -66.35 -47.37 73.64 Favored 'General case' 0 C--N 1.333 -0.15 0 N-CA-C 109.157 -0.682 . . . . 10.0 109.157 178.281 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 42' ' ' GLU . . . . . . . . . . . . . 16.2 mt-10 -65.86 -12.59 55.6 Favored 'General case' 0 N--CA 1.464 0.232 0 CA-C-N 115.791 -0.64 . . . . 10.0 110.726 179.469 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 43' ' ' GLU . . . . . . . . . . . . . 23.3 tt0 -88.33 -56.23 3.4 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.613 -0.721 . . . . 10.0 111.35 -179.247 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 44' ' ' GLU . . . . . . . . . . . . . 5.3 mt-10 -77.36 -33.61 55.28 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 112.665 0.616 . . . . 10.0 112.665 -178.418 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 45' ' ' SER . . . . . . . . . . . . . 50.4 m -74.87 -5.93 46.35 Favored 'General case' 0 N--CA 1.463 0.203 0 CA-C-O 120.873 0.368 . . . . 10.0 111.363 -179.88 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 46' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.484 0 CA-C-O 121.037 0.446 . . . . 10.0 110.612 179.905 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 52.2 tp . . . . . 0 N--CA 1.479 0.983 0 N-CA-C 110.104 -0.332 . . . . 10.0 110.104 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -92.05 152.3 20.03 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.298 -0.41 . . . . 10.0 111.03 -179.869 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 60.8 pttt -69.23 -20.05 63.95 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.796 0.332 . . . . 10.0 110.625 179.655 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -61.68 -38.3 87.27 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.028 -0.533 . . . . 10.0 111.035 179.639 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -63.16 -38.32 90.72 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.065 -0.516 . . . . 10.0 110.61 -179.773 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 4.3 m-85 -78.42 -37.42 43.87 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.062 -0.517 . . . . 10.0 109.687 178.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 42.7 tp -58.29 -51.22 70.69 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.823 -0.626 . . . . 10.0 110.896 179.767 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 1.6 tpt -65.44 -31.89 73.22 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.033 0.444 . . . . 10.0 110.393 -179.86 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.76 -30.48 69.09 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.992 -0.549 . . . . 10.0 110.418 179.201 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 91.3 mt -93.23 -4.03 52.67 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.166 -0.47 . . . . 10.0 111.229 -179.803 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -66.35 -23.89 66.42 Favored 'General case' 0 N--CA 1.464 0.272 0 CA-C-O 121.104 0.478 . . . . 10.0 110.662 -179.886 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 90.2 mtm-85 -78.17 -20.06 52.73 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.311 0.577 . . . . 10.0 110.527 179.319 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 35.4 m -79.57 99.39 7.28 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.782 -0.644 . . . . 10.0 110.691 -179.809 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 12.4 mm100 -98.65 -174.32 2.77 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.821 -0.627 . . . . 10.0 109.772 179.054 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . 0.457 ' O ' ' HB ' ' A' ' 21' ' ' ILE . 7.4 p 62.79 -8.19 0.13 Allowed 'General case' 0 N--CA 1.472 0.675 0 N-CA-C 114.428 1.269 . . . . 10.0 114.428 178.283 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.457 ' HB ' ' O ' ' A' ' 20' ' ' THR . 82.0 mt 73.43 -48.63 0.19 Allowed 'Isoleucine or valine' 0 N--CA 1.469 0.493 0 C-N-CA 122.876 0.471 . . . . 10.0 110.657 -179.147 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 13.0 t70 -54.65 -37.75 66.06 Favored 'General case' 0 C--N 1.327 -0.384 0 C-N-CA 123.06 0.544 . . . . 10.0 111.275 179.762 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 5.3 m -67.3 -39.87 86.0 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.253 0.549 . . . . 10.0 110.596 179.128 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.453 ' HA ' HG12 ' A' ' 27' ' ' VAL . 20.0 tp -65.83 -40.01 91.39 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.337 -0.847 . . . . 10.0 110.874 -179.268 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 6.7 tp10 -56.69 -26.22 56.03 Favored 'General case' 0 CA--C 1.538 0.508 0 CA-C-N 115.961 -0.563 . . . . 10.0 111.802 -179.647 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 72.9 mtt85 -90.7 -39.77 12.25 Favored 'General case' 0 C--N 1.33 -0.271 0 N-CA-C 111.845 0.313 . . . . 10.0 111.845 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.453 HG12 ' HA ' ' A' ' 24' ' ' LEU . 5.8 p -65.77 -35.37 74.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 C-N-CA 121.088 -0.245 . . . . 10.0 111.271 -178.951 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.498 ' O ' ' HB2' ' A' ' 32' ' ' LYS . 48.7 pt -74.48 -21.95 17.53 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-O 120.975 0.417 . . . . 10.0 110.235 179.582 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 9.9 tp10 -78.22 -46.16 21.11 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.824 -0.626 . . . . 10.0 109.634 179.415 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 24.1 mtpp -67.14 -47.91 69.66 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.646 -0.706 . . . . 10.0 111.003 179.902 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . 0.477 ' O ' ' HG ' ' A' ' 35' ' ' LEU . 0.1 OUTLIER -66.26 -25.63 66.97 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.196 -0.457 . . . . 10.0 111.622 -179.339 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.498 ' HB2' ' O ' ' A' ' 28' ' ' ILE . 36.0 ttmt -56.7 -34.48 67.47 Favored 'General case' 0 C--N 1.328 -0.358 0 C-N-CA 122.778 0.431 . . . . 10.0 111.632 -179.712 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 88.6 m-85 -96.93 -3.07 42.46 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 120.924 0.392 . . . . 10.0 111.469 -178.872 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 53.5 mt-10 -103.91 9.08 36.9 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.17 0.51 . . . . 10.0 110.195 179.478 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.477 ' HG ' ' O ' ' A' ' 31' ' ' ASN . 88.7 mt -104.7 158.39 16.54 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.751 -0.658 . . . . 10.0 110.521 179.638 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . 0.503 ' O ' ' HB2' ' A' ' 37' ' ' ASP . 2.4 m -92.9 1.68 57.17 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 116.139 -0.482 . . . . 10.0 110.47 -179.799 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . 0.503 ' HB2' ' O ' ' A' ' 36' ' ' SER . 97.1 m-20 79.75 -14.4 0.86 Allowed 'General case' 0 C--O 1.255 1.389 0 C-N-CA 124.919 1.288 . . . . 0.0 111.079 178.929 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 2.2 p-10 -82.77 -32.82 27.59 Favored 'General case' 0 C--N 1.331 -0.234 0 O-C-N 120.827 -1.171 . . . . 10.0 109.869 178.829 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.422 ' CD ' ' H ' ' A' ' 36' ' ' SER . 0.0 OUTLIER -88.0 -16.08 34.66 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 108.948 -0.76 . . . . 10.0 108.948 178.873 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 29.5 tp -61.21 -21.55 63.94 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 114.759 -1.11 . . . . 10.0 110.317 179.176 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -60.58 -40.01 90.15 Favored 'General case' 0 N--CA 1.455 -0.223 0 CA-C-N 115.871 -0.604 . . . . 10.0 111.465 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 35.5 m -93.06 -17.17 7.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.677 -0.238 . . . . 10.0 111.022 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 54.3 t80 -66.38 -32.38 73.73 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.824 0.345 . . . . 10.0 110.509 179.617 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 24.8 m-85 -58.42 -64.68 0.84 Allowed 'General case' 0 C--O 1.224 -0.263 0 CA-C-N 115.947 -0.57 . . . . 10.0 110.501 179.096 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 18.2 t -56.97 -28.6 62.48 Favored 'General case' 0 CA--C 1.535 0.389 0 CA-C-N 116.142 -0.481 . . . . 10.0 111.379 -179.209 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -67.69 -55.02 14.83 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.749 0.309 . . . . 10.0 110.547 179.217 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -68.09 -39.29 82.9 Favored 'General case' 0 C--O 1.235 0.335 0 CA-C-N 116.08 -0.509 . . . . 10.0 110.557 179.882 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -55.8 -44.91 78.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.547 0.689 . . . . 10.0 110.022 178.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' HIS . . . . . 0.432 ' O ' ' HG2' ' A' ' 53' ' ' GLU . 6.2 t60 -70.98 -43.65 67.6 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.436 -0.802 . . . . 10.0 110.584 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 17.9 tpt180 -60.75 -41.71 95.96 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.041 -0.527 . . . . 10.0 111.921 -178.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 11.9 tp -69.9 -37.87 76.12 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 116.582 -0.281 . . . . 10.0 110.902 -179.667 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.538 ' HA ' HD11 ' A' ' 71' ' ' ILE . . . -58.78 -51.08 71.52 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.346 -0.388 . . . . 10.0 112.011 -179.557 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . 0.432 ' HG2' ' O ' ' A' ' 49' ' ' HIS . 10.7 pt-20 -67.5 -32.4 73.19 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.366 -0.379 . . . . 10.0 111.541 -179.197 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 12.0 tp -73.85 -33.95 64.32 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 111.774 0.287 . . . . 10.0 111.774 -179.127 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 13.3 m -70.67 -37.05 73.62 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.804 0.335 . . . . 10.0 111.034 -179.699 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 93.6 mmm -88.87 -8.97 53.29 Favored 'General case' 0 C--O 1.235 0.299 0 CA-C-N 116.423 -0.353 . . . . 10.0 110.844 179.831 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 49.6 t30 63.19 27.15 15.52 Favored 'General case' 0 N--CA 1.465 0.322 0 CA-C-N 115.637 -0.711 . . . . 10.0 110.833 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 43.9 tttp -141.2 122.99 15.31 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.734 -0.666 . . . . 10.0 109.847 -179.872 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 7.8 mp -74.32 136.55 42.56 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.137 -0.483 . . . . 10.0 110.929 -179.473 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 52.9 m-85 -129.74 143.16 50.68 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.766 -0.652 . . . . 10.0 110.262 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 23.1 m-20 -74.77 -43.34 55.34 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 109.12 -0.696 . . . . 10.0 109.12 178.632 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 24.3 pttt -104.57 -163.03 0.93 Allowed 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.482 -0.781 . . . . 10.0 109.518 178.854 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.47 ' HA ' ' HD3' ' A' ' 64' ' ' PRO . 12.9 mm -120.9 125.19 27.14 Favored Pre-proline 0 C--N 1.324 -0.522 0 N-CA-C 111.723 0.268 . . . . 10.0 111.723 -179.285 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . 0.47 ' HD3' ' HA ' ' A' ' 63' ' ' ILE . 5.2 Cg_exo -80.45 133.18 9.43 Favored 'Trans proline' 0 C--N 1.349 0.58 0 C-N-CA 122.729 2.286 . . . . 10.0 110.64 176.626 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 1.1 m -58.78 -46.68 86.97 Favored 'General case' 0 C--N 1.32 -0.716 0 N-CA-C 113.507 0.929 . . . . 10.0 113.507 -178.397 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 97.7 p -80.82 23.5 0.54 Allowed 'General case' 0 C--O 1.26 1.649 0 O-C-N 121.375 -0.828 . . . . 0.0 110.981 -176.346 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.412 HG12 ' O ' ' A' ' 64' ' ' PRO . 1.8 p -101.83 -19.52 5.98 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.096 0 CA-C-N 120.924 1.693 . . . . 10.0 111.418 -179.809 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' TRP . . . . . 0.463 ' CZ2' ' HE2' ' C' ' 32' ' ' LYS . 81.5 m95 -70.59 -8.79 54.21 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 112.419 0.525 . . . . 10.0 112.419 -178.316 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 14.6 tppt? -82.95 -17.49 43.38 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.196 0.522 . . . . 10.0 110.169 179.445 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 40.1 m-85 -94.13 -3.6 50.74 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 120.851 0.358 . . . . 10.0 110.885 -179.611 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.538 HD11 ' HA ' ' A' ' 52' ' ' ALA . 29.4 mt -109.2 139.03 33.68 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 CA-C-N 116.223 -0.444 . . . . 10.0 110.69 -179.17 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 46.3 mtp180 . . . . . 0 C--O 1.25 1.086 0 CA-C-O 118.532 -0.747 . . . . 10.0 110.289 -179.714 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.886 0.374 . . . . 10.0 110.21 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . -67.01 -46.02 75.77 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 115.969 -0.56 . . . . 10.0 110.705 -179.811 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 8.7 mp -76.54 -14.06 60.04 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.136 -0.484 . . . . 10.0 111.316 -179.811 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 60.5 tttt -72.51 -49.6 31.71 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.185 -0.461 . . . . 10.0 110.5 -179.828 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 7' ' ' ILE . . . . . . . . . . . . . 34.6 pt -76.16 -20.4 15.32 Favored 'Isoleucine or valine' 0 C--O 1.232 0.181 0 CA-C-N 116.352 -0.385 . . . . 10.0 111.112 -179.769 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 5.5 tp -77.26 -20.19 55.48 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.973 -0.558 . . . . 10.0 111.084 -179.786 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 9' ' ' ASN . . . . . . . . . . . . . 46.2 t30 -93.25 24.08 4.05 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.754 0.312 . . . . 10.0 111.657 -179.036 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 10' ' ' ASN . . . . . . . . . . . . . 28.4 t-20 -148.63 120.35 8.08 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 109.917 -0.401 . . . . 10.0 109.917 178.354 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 11' ' ' ILE . . . . . 0.4 ' H ' HG12 ' B' ' 11' ' ' ILE . 3.4 pt -63.49 -34.32 66.75 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 N-CA-C 113.088 0.773 . . . . 10.0 113.088 -178.21 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 12' ' ' ARG . . . . . . . . . . . . . 51.2 mtt180 -64.63 -40.07 94.81 Favored 'General case' 0 C--N 1.325 -0.486 0 C-N-CA 121.033 -0.267 . . . . 10.0 111.572 -178.488 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 13' ' ' THR . . . . . . . . . . . . . 1.4 p -80.4 -40.13 27.03 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 121.222 0.534 . . . . 10.0 111.167 179.335 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 14' ' ' LEU . . . . . 0.407 HD21 HD13 ' C' ' 33' ' ' LEU . 18.2 tp -67.37 -35.54 79.55 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.794 -0.639 . . . . 10.0 111.885 -178.579 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 15' ' ' ARG . . . . . 0.431 ' O ' ' HG2' ' B' ' 19' ' ' ARG . 18.1 mtt180 -57.76 -40.99 81.02 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.528 0.204 . . . . 10.0 111.078 -179.892 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 16' ' ' ALA . . . . . . . . . . . . . . . -75.93 -35.3 59.79 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.098 0.475 . . . . 10.0 111.151 -179.72 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 17' ' ' GLN . . . . . . . . . . . . . 26.6 tp60 -67.89 -34.87 77.49 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.007 -0.542 . . . . 10.0 111.376 -179.666 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -78.67 2.57 19.07 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 112.602 0.593 . . . . 10.0 112.602 -178.843 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 19' ' ' ARG . . . . . 0.431 ' HG2' ' O ' ' B' ' 15' ' ' ARG . 21.5 mmm180 -87.91 -9.83 52.47 Favored 'General case' 0 C--N 1.327 -0.397 0 C-N-CA 120.644 -0.422 . . . . 10.0 110.615 179.531 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 4.3 pt-20 -96.63 -0.99 47.72 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.971 0.415 . . . . 10.0 110.848 179.747 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 21' ' ' CYS . . . . . . . . . . . . . 79.4 m -123.46 140.04 53.41 Favored 'General case' 0 CA--C 1.51 -0.57 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.013 178.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 22' ' ' THR . . . . . 0.555 ' HB ' ' OE1' ' B' ' 24' ' ' GLU . 0.0 OUTLIER -71.57 163.19 28.2 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 116.322 -0.399 . . . . 10.0 111.082 178.866 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 46.7 tp -58.96 -32.34 69.55 Favored 'General case' 0 C--O 1.224 -0.268 0 CA-C-N 116.532 -0.303 . . . . 10.0 111.239 -179.217 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 24' ' ' GLU . . . . . 0.555 ' OE1' ' HB ' ' B' ' 22' ' ' THR . 29.0 mp0 -56.35 -47.51 78.69 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.854 0.359 . . . . 10.0 111.374 -179.459 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 1.6 m -72.74 -37.75 67.62 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.944 0.402 . . . . 10.0 110.878 179.693 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 97.2 mt -63.86 -44.18 93.88 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.988 -0.551 . . . . 10.0 110.762 -179.747 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 19.2 tt0 -65.13 -43.37 92.13 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.701 -0.681 . . . . 10.0 110.564 179.89 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 18.3 tt0 -62.11 -46.89 87.03 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.714 -0.676 . . . . 10.0 111.032 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 29' ' ' MET . . . . . . . . . . . . . 14.3 ptp -68.44 -28.55 67.15 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.691 -0.231 . . . . 10.0 110.627 -179.747 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 64.9 tp -64.65 -53.24 50.59 Favored 'General case' 0 N--CA 1.452 -0.373 0 CA-C-N 116.457 -0.338 . . . . 10.0 110.204 179.776 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 38.8 mt-10 -61.15 -38.19 85.53 Favored 'General case' 0 C--O 1.234 0.282 0 CA-C-N 116.111 -0.495 . . . . 10.0 110.157 179.576 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 3.8 ttmt -63.14 -46.5 86.95 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.491 -0.777 . . . . 10.0 110.633 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 33.4 tp -68.24 -34.87 77.01 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.136 0.493 . . . . 10.0 109.939 179.219 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 37.6 tt0 -60.34 -48.47 81.61 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.629 -0.714 . . . . 10.0 110.906 179.618 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 35' ' ' VAL . . . . . . . . . . . . . 23.3 m -67.78 -29.13 44.04 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.148 0 C-N-CA 120.746 -0.382 . . . . 10.0 110.704 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 24.0 t -69.16 -48.41 69.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-O 121.124 0.488 . . . . 10.0 109.86 178.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 76.0 t -67.71 -38.55 80.51 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-N 116.092 -0.504 . . . . 10.0 110.028 179.152 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 19.5 t30 -62.2 -38.03 87.58 Favored 'General case' 0 C--O 1.234 0.287 0 N-CA-C 109.562 -0.532 . . . . 10.0 109.562 178.534 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 39' ' ' GLU . . . . . 0.523 ' O ' ' HG3' ' B' ' 43' ' ' GLU . 5.5 tt0 -61.84 -45.03 95.58 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 108.946 -0.761 . . . . 10.0 108.946 178.307 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 21.2 mmm-85 -62.34 -41.76 98.84 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.171 -0.922 . . . . 10.0 109.521 178.718 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 41' ' ' ARG . . . . . . . . . . . . . 94.5 mtt180 -55.89 -44.83 78.55 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-N 115.772 -0.649 . . . . 10.0 109.893 179.151 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 2.2 tp10 -62.22 -42.07 98.97 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.882 -0.599 . . . . 10.0 110.602 179.807 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 43' ' ' GLU . . . . . 0.523 ' HG3' ' O ' ' B' ' 39' ' ' GLU . 32.3 mt-10 -67.62 -39.0 84.71 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.83 0.348 . . . . 10.0 110.416 179.594 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -69.44 -37.03 77.19 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.673 -0.694 . . . . 10.0 111.431 -179.47 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 45' ' ' SER . . . . . . . . . . . . . 34.3 p -99.4 21.1 12.57 Favored 'General case' 0 N--CA 1.464 0.241 0 CA-C-O 120.95 0.405 . . . . 10.0 111.678 -179.313 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.321 -0.662 0 CA-C-O 120.925 0.393 . . . . 10.0 110.826 -179.973 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' C' C ' 3' ' ' GLU . . . . . 0.458 ' O ' HG12 ' C' ' 7' ' ' ILE . 2.8 mp0 . . . . . 0 C--O 1.232 0.157 0 CA-C-O 120.97 0.414 . . . . 10.0 110.931 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 4' ' ' ALA . . . . . . . . . . . . . . . -56.21 -44.0 79.06 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.793 -0.64 . . . . 10.0 111.84 -179.771 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 5' ' ' LEU . . . . . . . . . . . . . 93.0 mt -71.05 -29.86 65.87 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.682 0.277 . . . . 10.0 111.668 -179.082 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 6' ' ' LYS . . . . . . . . . . . . . 9.5 tptm -67.09 -36.36 81.8 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.014 0.435 . . . . 10.0 110.935 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 7' ' ' ILE . . . . . 0.458 HG12 ' O ' ' C' ' 3' ' ' GLU . 43.0 mm -68.03 -31.37 51.6 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 115.828 -0.623 . . . . 10.0 111.073 -179.891 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 8' ' ' LEU . . . . . . . . . . . . . 6.4 mp -76.31 -13.94 60.13 Favored 'General case' 0 C--O 1.235 0.305 0 CA-C-N 116.091 -0.504 . . . . 10.0 111.759 -179.372 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 9' ' ' ASN . . . . . . . . . . . . . 25.8 t-20 -81.26 -19.85 42.19 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.047 0.451 . . . . 10.0 110.375 179.786 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 10' ' ' ASN . . . . . 0.452 HD22 ' HA ' ' C' ' 10' ' ' ASN . 4.2 m120 -96.39 119.41 34.82 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.088 0.471 . . . . 10.0 110.987 -179.699 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 11' ' ' ILE . . . . . . . . . . . . . 4.8 tp -62.94 -28.18 44.56 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.189 0 CA-C-N 115.872 -0.604 . . . . 10.0 111.022 -179.913 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 12' ' ' ARG . . . . . . . . . . . . . 26.3 mmt180 -62.99 -48.48 78.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.244 -0.434 . . . . 10.0 111.384 -179.712 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 13' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -75.93 -38.94 57.14 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 120.649 0.262 . . . . 10.0 111.546 -179.311 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 14' ' ' LEU . . . . . . . . . . . . . 13.1 tp -61.82 -41.88 98.33 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.843 0.354 . . . . 10.0 110.686 -179.783 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 15' ' ' ARG . . . . . 0.414 HH11 ' HD2' ' C' ' 15' ' ' ARG . 20.8 ttm180 -71.92 -7.8 50.66 Favored 'General case' 0 CA--C 1.534 0.352 0 CA-C-O 121.351 0.596 . . . . 10.0 110.598 179.779 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 16' ' ' ALA . . . . . . . . . . . . . . . -100.89 -45.05 5.56 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.124 -0.489 . . . . 10.0 111.126 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 17' ' ' GLN . . . . . . . . . . . . . 96.8 mt-30 -69.62 -31.62 69.84 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.245 -0.434 . . . . 10.0 111.418 -179.388 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 18' ' ' ALA . . . . . . . . . . . . . . . -70.39 -0.66 8.68 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 112.523 0.564 . . . . 10.0 112.523 -179.205 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 19' ' ' ARG . . . . . . . . . . . . . 67.3 mtt180 -86.38 -16.17 38.11 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.032 0.444 . . . . 10.0 110.262 179.442 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 20' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -74.63 -63.19 1.3 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.668 -0.696 . . . . 10.0 110.838 179.644 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 21' ' ' CYS . . . . . . . . . . . . . 74.4 m -70.29 157.79 37.07 Favored 'General case' 0 CA--C 1.51 -0.572 0 CA-C-O 122.254 1.025 . . . . 0.0 110.951 -179.357 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 22' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -83.8 167.9 16.67 Favored 'General case' 0 N--CA 1.45 -0.444 0 CA-C-N 114.758 -1.11 . . . . 10.0 110.302 178.027 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 21.4 tp -54.87 -43.11 72.83 Favored 'General case' 0 C--N 1.332 -0.159 0 O-C-N 123.142 0.276 . . . . 10.0 111.733 -179.4 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 24' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -50.0 -58.16 6.05 Favored 'General case' 0 N--CA 1.465 0.276 0 O-C-N 123.492 0.495 . . . . 10.0 111.652 -179.849 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 25' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -62.22 -36.12 81.01 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.096 -0.502 . . . . 10.0 111.969 -179.009 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 26' ' ' LEU . . . . . . . . . . . . . 76.6 mt -65.4 -42.94 92.05 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.85 0.357 . . . . 10.0 110.628 179.85 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 27' ' ' GLU . . . . . 0.511 ' O ' ' HG3' ' C' ' 31' ' ' GLU . 12.1 mt-10 -67.94 -47.21 69.32 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.03 -0.532 . . . . 10.0 110.347 179.782 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 28' ' ' GLU . . . . . . . . . . . . . 9.0 tt0 -53.77 -46.65 71.05 Favored 'General case' 0 N--CA 1.462 0.163 0 O-C-N 123.404 0.44 . . . . 10.0 111.073 -179.623 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 29' ' ' MET . . . . . . . . . . . . . 16.0 ptp -75.19 -30.61 60.7 Favored 'General case' 0 C--N 1.328 -0.342 0 C-N-CA 121.218 -0.193 . . . . 10.0 111.357 -179.51 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 30' ' ' LEU . . . . . . . . . . . . . 19.8 tp -64.04 -45.5 88.57 Favored 'General case' 0 C--O 1.234 0.247 0 CA-C-O 121.055 0.455 . . . . 10.0 110.205 179.265 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 31' ' ' GLU . . . . . 0.511 ' HG3' ' O ' ' C' ' 27' ' ' GLU . 65.1 mt-10 -63.69 -32.28 73.71 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.599 -0.728 . . . . 10.0 110.383 179.847 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 32' ' ' LYS . . . . . 0.599 ' O ' HG23 ' C' ' 36' ' ' VAL . 29.0 mttt -73.79 -33.16 64.1 Favored 'General case' 0 N--CA 1.452 -0.36 0 CA-C-N 115.868 -0.605 . . . . 10.0 110.631 179.637 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 33' ' ' LEU . . . . . 0.407 HD13 HD21 ' B' ' 14' ' ' LEU . 63.3 tp -76.64 -42.44 42.06 Favored 'General case' 0 C--O 1.235 0.312 0 CA-C-O 120.571 0.224 . . . . 10.0 110.786 179.474 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 34' ' ' GLU . . . . . 0.417 ' HG2' ' HA ' ' C' ' 31' ' ' GLU . 8.7 pt-20 -63.01 -33.18 74.87 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.405 -0.361 . . . . 10.0 110.786 -179.236 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 35' ' ' VAL . . . . . 0.556 HG12 ' O ' ' C' ' 32' ' ' LYS . 2.9 p -71.17 -33.64 51.73 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.262 0 C-N-CA 120.74 -0.384 . . . . 10.0 110.497 179.685 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 36' ' ' VAL . . . . . 0.599 HG23 ' O ' ' C' ' 32' ' ' LYS . 96.7 t -69.35 -45.63 78.54 Favored 'Isoleucine or valine' 0 C--O 1.234 0.246 0 N-CA-C 109.652 -0.499 . . . . 10.0 109.652 179.229 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 37' ' ' VAL . . . . . . . . . . . . . 59.0 t -62.85 -37.68 79.84 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.324 0 N-CA-C 109.229 -0.656 . . . . 10.0 109.229 178.888 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 38' ' ' ASN . . . . . 0.471 ' O ' ' HG3' ' C' ' 42' ' ' GLU . 13.4 t-20 -58.38 -45.5 88.19 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 115.944 -0.571 . . . . 10.0 109.901 178.776 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 39' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -58.97 -41.63 88.0 Favored 'General case' 0 N--CA 1.461 0.116 0 CA-C-N 116.306 -0.406 . . . . 10.0 110.148 179.17 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 40' ' ' ARG . . . . . 0.555 ' HD2' ' OE1' ' C' ' 43' ' ' GLU . 7.1 mmm180 -64.89 -36.51 84.58 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.489 -0.778 . . . . 10.0 110.625 179.769 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 41' ' ' ARG . . . . . . . . . . . . . 4.9 mmm180 -61.82 -38.65 88.95 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.912 -0.585 . . . . 10.0 110.418 179.715 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 42' ' ' GLU . . . . . 0.471 ' HG3' ' O ' ' C' ' 38' ' ' ASN . 6.1 mt-10 -67.99 -29.72 68.81 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.03 -0.532 . . . . 10.0 110.815 -179.611 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 43' ' ' GLU . . . . . 0.555 ' OE1' ' HD2' ' C' ' 40' ' ' ARG . 48.5 mt-10 -72.15 -54.74 8.81 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.275 0.559 . . . . 10.0 109.944 179.325 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 44' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -60.79 -38.05 84.0 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.342 -0.845 . . . . 10.0 112.135 -179.506 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 45' ' ' SER . . . . . . . . . . . . . 50.5 m -83.94 3.73 32.79 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 112.324 0.49 . . . . 10.0 112.324 -179.241 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 46' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.476 0 CA-C-O 121.093 0.473 . . . . 10.0 110.322 179.325 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.659 ' N ' ' HH ' ' A' ' 11' ' ' TYR . 6.9 mp . . . . . 0 N--CA 1.479 1.008 0 N-CA-C 110.275 -0.269 . . . . 10.0 110.275 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -71.87 154.07 41.48 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.175 -0.466 . . . . 10.0 110.995 -179.902 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.541 ' HD2' ' CB ' ' A' ' 45' ' ' SER . 21.0 ttpt -60.68 -38.64 85.6 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.344 0.592 . . . . 10.0 110.581 179.908 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -68.07 -28.55 67.46 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.332 -0.849 . . . . 10.0 111.818 -179.803 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -62.63 -46.7 87.06 Favored 'General case' 0 N--CA 1.463 0.213 0 CA-C-O 120.87 0.367 . . . . 10.0 110.828 -179.492 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.659 ' HH ' ' N ' ' A' ' 6' ' ' LEU . 27.8 m-85 -72.48 -40.68 66.74 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 109.607 -0.516 . . . . 10.0 109.607 179.163 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 55.7 tp -57.6 -48.5 79.23 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.392 -0.822 . . . . 10.0 111.285 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 62.9 mmm -65.8 -35.89 81.96 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.671 0.272 . . . . 10.0 111.308 -179.644 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.68 -31.99 73.02 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.138 0.494 . . . . 10.0 109.931 179.212 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 96.4 mt -86.34 -5.83 59.08 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.147 -0.479 . . . . 10.0 111.171 179.72 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -70.69 -16.71 62.82 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.753 0.311 . . . . 10.0 111.019 -179.747 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.404 HH11 ' HD3' ' A' ' 17' ' ' ARG . 17.2 mtm-85 -90.59 -3.36 57.62 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.139 0.495 . . . . 10.0 110.433 179.847 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 46.3 m -89.9 119.24 30.1 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.825 -0.625 . . . . 10.0 110.064 179.618 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 3.7 mm-40 -119.24 -175.19 2.88 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.927 -0.579 . . . . 10.0 110.979 -179.338 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 1.2 m 67.31 -4.4 0.88 Allowed 'General case' 0 N--CA 1.472 0.643 0 N-CA-C 113.196 0.813 . . . . 10.0 113.196 178.706 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 90.4 mt 70.61 -54.42 0.27 Allowed 'Isoleucine or valine' 0 N--CA 1.469 0.518 0 C-N-CA 122.985 0.514 . . . . 10.0 111.674 -179.719 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . 0.444 ' O ' ' HG3' ' A' ' 26' ' ' ARG . 34.7 t70 -56.43 -42.35 77.92 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.794 0.33 . . . . 10.0 111.029 179.863 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 3.3 m -60.9 -30.54 70.24 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.011 0.434 . . . . 10.0 110.744 179.694 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 22.6 tp -75.79 -44.13 42.86 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 109.555 -0.535 . . . . 10.0 109.555 179.22 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 7.7 tp10 -59.07 -31.3 68.75 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.643 -0.708 . . . . 10.0 110.626 179.909 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.444 ' HG3' ' O ' ' A' ' 22' ' ' ASP . 77.7 mtt180 -74.76 -48.95 22.79 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.294 -0.412 . . . . 10.0 111.682 179.723 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 9.8 p -64.52 -35.3 74.15 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.36 0 N-CA-C 112.422 0.527 . . . . 10.0 112.422 -178.028 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 50.6 pt -69.8 -27.4 33.12 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.123 0 O-C-N 122.161 -0.337 . . . . 10.0 110.591 179.873 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 51.6 tp10 -71.01 -39.65 72.28 Favored 'General case' 0 N--CA 1.456 -0.161 0 N-CA-C 109.508 -0.553 . . . . 10.0 109.508 179.232 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 20.7 mtpp -65.32 -48.47 72.97 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.782 -0.645 . . . . 10.0 110.224 179.32 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . 0.412 ' O ' ' HG ' ' A' ' 35' ' ' LEU . 2.7 m120 -62.35 -25.76 68.08 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.576 -0.738 . . . . 10.0 111.196 -179.646 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 33.4 ttmt -59.47 -29.82 68.09 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.853 0.358 . . . . 10.0 110.964 179.695 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 29.9 m-85 -110.29 -2.2 16.87 Favored 'General case' 0 CA--C 1.531 0.229 0 CA-C-O 120.881 0.372 . . . . 10.0 111.347 -179.229 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 69.4 mt-10 -103.68 -23.32 13.46 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.663 -0.244 . . . . 10.0 111.386 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.412 ' HG ' ' O ' ' A' ' 31' ' ' ASN . 45.6 mt -73.72 154.1 39.77 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.939 0.399 . . . . 10.0 111.279 -179.389 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -86.57 19.85 2.7 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.953 -0.567 . . . . 10.0 111.804 -179.066 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 97.8 m-20 71.22 -41.42 0.5 Allowed 'General case' 0 C--O 1.259 1.593 0 C-N-CA 124.966 1.306 . . . . 0.0 111.033 177.661 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 30.6 p-10 -57.63 -52.51 65.14 Favored 'General case' 0 C--N 1.319 -0.722 0 O-C-N 120.274 -1.516 . . . . 10.0 111.626 -178.576 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -82.44 2.42 32.71 Favored 'General case' 0 C--N 1.331 -0.221 0 N-CA-C 111.9 0.333 . . . . 10.0 111.9 -179.332 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 41.8 tp -66.95 -23.04 65.91 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.162 0.506 . . . . 10.0 109.911 179.292 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -67.8 -49.69 60.99 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.713 -0.676 . . . . 10.0 110.934 179.848 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -73.96 -26.22 21.01 Favored 'Isoleucine or valine' 0 C--O 1.232 0.15 0 CA-C-O 121.018 0.437 . . . . 10.0 110.664 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 45.7 t80 -68.33 -33.09 73.67 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.013 -0.54 . . . . 10.0 110.093 179.054 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 2.2 m-85 -57.11 -52.6 64.65 Favored 'General case' 0 N--CA 1.462 0.161 0 CA-C-N 116.036 -0.529 . . . . 10.0 110.334 179.281 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . 0.541 ' CB ' ' HD2' ' A' ' 8' ' ' LYS . 71.7 m -60.25 -35.59 75.85 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.655 -0.702 . . . . 10.0 111.517 179.804 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -66.02 -44.88 83.42 Favored 'General case' 0 C--O 1.235 0.336 0 CA-C-O 120.941 0.401 . . . . 10.0 110.355 179.499 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -66.68 -46.65 74.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.539 -0.755 . . . . 10.0 110.292 179.299 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 30.4 m-20 -57.43 -47.51 81.58 Favored 'General case' 0 C--O 1.231 0.108 0 CA-C-N 115.902 -0.59 . . . . 10.0 110.568 179.552 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' HIS . . . . . 0.558 ' O ' ' HG2' ' A' ' 53' ' ' GLU . 5.4 t60 -60.77 -52.61 64.38 Favored 'General case' 0 CA--C 1.521 -0.149 0 CA-C-N 116.045 -0.525 . . . . 10.0 110.635 -179.885 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 27.6 tpt180 -59.89 -43.8 94.6 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.245 -0.434 . . . . 10.0 111.458 -178.696 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.561 HD21 ' HG3' ' A' ' 72' ' ' ARG . 53.4 tp -60.56 -43.25 97.46 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 120.548 0.213 . . . . 10.0 111.485 -179.333 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -58.92 -52.62 64.94 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.428 -0.351 . . . . 10.0 111.578 -179.808 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . 0.558 ' HG2' ' O ' ' A' ' 49' ' ' HIS . 5.7 pt-20 -72.86 -24.32 60.85 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.29 -0.414 . . . . 10.0 111.642 -179.027 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 13.7 tp -73.06 -40.5 65.02 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.622 -0.263 . . . . 10.0 110.683 179.897 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 15.7 m -66.03 -38.54 88.65 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.17 0.51 . . . . 10.0 110.518 179.737 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 80.6 mmm -81.82 -17.18 48.37 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.835 -0.621 . . . . 10.0 110.4 179.338 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 54.1 t30 62.99 40.42 9.3 Favored 'General case' 0 N--CA 1.466 0.346 0 CA-C-N 115.578 -0.737 . . . . 10.0 110.638 -179.591 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 21.0 tptp -151.13 124.65 8.96 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.399 -0.819 . . . . 10.0 109.087 -179.704 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 6.0 mp -76.12 130.55 38.46 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 120.918 0.389 . . . . 10.0 111.447 -178.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 68.2 m-85 -125.4 144.7 50.39 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.976 -0.556 . . . . 10.0 110.455 179.711 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . 0.422 ' O ' ' HE1' ' A' ' 49' ' ' HIS . 0.2 OUTLIER -63.55 -59.75 4.23 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 121.134 0.492 . . . . 10.0 110.0 179.18 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 7.3 ttpp -113.42 148.08 36.54 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 107.723 -1.214 . . . . 10.0 107.723 177.466 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 45.0 mm -80.99 120.05 77.72 Favored Pre-proline 0 C--N 1.317 -0.822 0 C-N-CA 120.794 -0.362 . . . . 10.0 110.826 -179.342 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . 0.449 ' O ' HG12 ' A' ' 67' ' ' VAL . 24.6 Cg_exo -62.42 133.84 45.16 Favored 'Trans proline' 0 N--CA 1.465 -0.201 0 C-N-CA 122.409 2.073 . . . . 10.0 111.424 178.805 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -57.57 -28.59 63.7 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 120.92 0.391 . . . . 10.0 111.832 -179.215 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 94.1 p -81.26 -12.47 59.09 Favored 'General case' 0 C--O 1.252 1.205 0 C-N-CA 122.933 0.493 . . . . 0.0 110.982 -178.256 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.449 HG12 ' O ' ' A' ' 64' ' ' PRO . 0.7 OUTLIER -92.82 -10.29 9.6 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.892 0 CA-C-N 119.577 1.08 . . . . 10.0 111.35 -177.622 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' TRP . . . . . 0.402 ' HB2' HG11 ' C' ' 35' ' ' VAL . 22.1 m95 -64.32 -19.71 65.61 Favored 'General case' 0 CA--C 1.531 0.229 0 CA-C-O 121.156 0.503 . . . . 10.0 111.24 -179.921 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 14.9 tptp -74.67 -2.96 28.56 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.141 -0.481 . . . . 10.0 112.023 -178.79 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 62.9 m-85 -107.04 10.87 30.19 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 111.909 0.337 . . . . 10.0 111.909 -179.209 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 1.6 mp -84.26 134.44 26.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-O 120.794 0.33 . . . . 10.0 110.76 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . 0.561 ' HG3' HD21 ' A' ' 51' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--O 1.25 1.091 0 CA-C-O 118.473 -0.775 . . . . 10.0 110.654 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 3.5 pm0 . . . . . 0 C--O 1.232 0.178 0 CA-C-O 120.887 0.375 . . . . 10.0 111.2 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . -62.14 -41.43 98.26 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.171 -0.468 . . . . 10.0 111.585 -179.351 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 5' ' ' LEU . . . . . 0.426 ' HA ' ' HB3' ' B' ' 8' ' ' LEU . 5.2 mp -84.95 0.18 52.15 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.275 -0.421 . . . . 10.0 111.634 -179.113 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 8.1 tttt -76.29 -41.13 49.75 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.898 0.38 . . . . 10.0 110.44 -179.751 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 7' ' ' ILE . . . . . . . . . . . . . 23.0 pt -90.22 -10.55 10.21 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-O 121.089 0.471 . . . . 10.0 110.53 179.475 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 8' ' ' LEU . . . . . 0.426 ' HB3' ' HA ' ' B' ' 5' ' ' LEU . 34.5 tp -82.07 -11.8 58.59 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.376 -0.829 . . . . 10.0 110.398 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 9' ' ' ASN . . . . . . . . . . . . . 65.5 t30 -84.71 5.87 26.51 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.792 -0.64 . . . . 10.0 112.009 -178.77 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 10' ' ' ASN . . . . . 0.47 ' OD1' ' HB2' ' B' ' 12' ' ' ARG . 23.2 t-20 -140.04 136.43 33.66 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 121.133 0.492 . . . . 10.0 111.36 179.863 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 46.6 mt -68.7 -40.42 81.59 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-N 115.458 -0.792 . . . . 10.0 112.229 -178.722 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 12' ' ' ARG . . . . . 0.47 ' HB2' ' OD1' ' B' ' 10' ' ' ASN . 96.6 mtt180 -60.85 -43.95 97.66 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.602 0.239 . . . . 10.0 111.472 -178.544 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 13' ' ' THR . . . . . . . . . . . . . 2.4 p -74.67 -34.03 62.6 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.748 0.309 . . . . 10.0 111.124 179.673 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 14' ' ' LEU . . . . . 0.433 HD21 HD13 ' C' ' 33' ' ' LEU . 8.9 tp -66.73 -39.78 88.12 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.258 -0.428 . . . . 10.0 111.517 -179.713 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 63.6 mtt180 -56.8 -36.39 69.83 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.368 -0.378 . . . . 10.0 110.926 179.905 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 16' ' ' ALA . . . . . . . . . . . . . . . -66.43 -51.9 52.13 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.868 -0.605 . . . . 10.0 111.663 -179.297 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 17' ' ' GLN . . . . . 0.492 ' O ' ' HG2' ' B' ' 20' ' ' GLU . 0.7 OUTLIER -67.79 -24.43 65.31 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.732 -0.213 . . . . 10.0 111.52 -179.058 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -76.22 1.08 16.89 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 112.151 0.426 . . . . 10.0 112.151 -179.543 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 28.5 mmt180 -90.21 -17.19 27.96 Favored 'General case' 0 C--N 1.328 -0.363 0 C-N-CA 121.135 -0.226 . . . . 10.0 111.372 -179.689 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 20' ' ' GLU . . . . . 0.492 ' HG2' ' O ' ' B' ' 17' ' ' GLN . 12.9 pt-20 -93.88 -1.88 54.16 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.245 0.545 . . . . 10.0 110.979 179.878 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 21' ' ' CYS . . . . . 1.391 ' SG ' ' HB ' ' B' ' 25' ' ' THR . 53.8 t -117.28 137.49 52.37 Favored 'General case' 0 CA--C 1.51 -0.585 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.003 178.856 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 1.7 m -73.69 158.16 35.2 Favored 'General case' 0 C--N 1.316 -0.851 0 O-C-N 123.898 0.749 . . . . 10.0 109.959 178.783 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 44.2 tp -53.75 -37.45 63.4 Favored 'General case' 0 C--N 1.333 -0.134 0 CA-C-O 120.735 0.302 . . . . 10.0 110.605 179.831 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 7.4 tp10 -57.46 -48.75 78.34 Favored 'General case' 0 C--O 1.235 0.298 0 CA-C-N 115.745 -0.661 . . . . 10.0 110.809 179.395 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 25' ' ' THR . . . . . 1.391 ' HB ' ' SG ' ' B' ' 21' ' ' CYS . 0.2 OUTLIER -65.54 -38.01 88.37 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.05 -0.523 . . . . 10.0 110.804 -179.93 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 86.7 mt -63.85 -47.88 78.99 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.97 -0.559 . . . . 10.0 110.659 179.912 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 27' ' ' GLU . . . . . 0.496 ' OE1' ' HD3' ' C' ' 41' ' ' ARG . 4.9 tp10 -62.58 -36.69 83.5 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.967 0.413 . . . . 10.0 110.214 179.097 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -65.3 -49.92 67.65 Favored 'General case' 0 C--O 1.234 0.261 0 CA-C-N 115.678 -0.692 . . . . 10.0 110.743 179.839 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 29' ' ' MET . . . . . . . . . . . . . 5.3 ppp? -72.36 -25.44 61.53 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.531 -0.304 . . . . 10.0 111.753 -178.873 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 62.9 tp -64.36 -44.68 90.66 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.919 0.39 . . . . 10.0 110.001 179.325 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 31' ' ' GLU . . . . . 0.426 ' O ' HG22 ' B' ' 35' ' ' VAL . 38.8 mt-10 -64.09 -33.24 75.32 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.843 -0.617 . . . . 10.0 109.717 178.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 39.2 mmtm -62.59 -43.23 99.32 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.611 -0.722 . . . . 10.0 110.456 179.245 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 33' ' ' LEU . . . . . 0.426 ' O ' HG23 ' B' ' 37' ' ' VAL . 43.4 tp -75.5 -38.95 59.12 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.377 -0.374 . . . . 10.0 110.549 179.907 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 3.9 tp10 -55.18 -50.34 69.6 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.195 -0.457 . . . . 10.0 111.201 -179.818 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 35' ' ' VAL . . . . . 0.558 ' O ' ' HG3' ' B' ' 39' ' ' GLU . 12.3 m -63.29 -33.16 59.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 C-N-CA 120.897 -0.321 . . . . 10.0 111.206 -179.895 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 35.1 t -67.8 -44.82 85.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 N-CA-C 109.965 -0.383 . . . . 10.0 109.965 179.376 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 37' ' ' VAL . . . . . 0.426 HG23 ' O ' ' B' ' 33' ' ' LEU . 61.5 t -64.3 -38.34 82.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.413 0 N-CA-C 109.197 -0.668 . . . . 10.0 109.197 178.459 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 29.7 t-20 -61.64 -44.7 96.48 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.582 -0.735 . . . . 10.0 109.713 178.727 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 39' ' ' GLU . . . . . 0.558 ' HG3' ' O ' ' B' ' 35' ' ' VAL . 40.4 mt-10 -62.47 -47.22 84.96 Favored 'General case' 0 C--O 1.232 0.179 0 CA-C-O 121.007 0.432 . . . . 10.0 110.427 179.004 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 40' ' ' ARG . . . . . 0.419 ' HB3' HD13 ' C' ' 23' ' ' LEU . 17.4 mmm-85 -61.09 -48.04 83.54 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.906 -0.588 . . . . 10.0 110.588 179.283 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 41' ' ' ARG . . . . . 0.407 ' HG3' HD11 ' C' ' 23' ' ' LEU . 36.9 mtt180 -61.23 -40.42 93.96 Favored 'General case' 0 C--N 1.333 -0.141 0 CA-C-N 116.368 -0.378 . . . . 10.0 110.89 179.638 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 21.2 tp10 -60.9 -47.85 84.49 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.331 -0.395 . . . . 10.0 110.815 179.88 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 90.5 mt-10 -70.69 -27.07 63.72 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 116.242 -0.435 . . . . 10.0 111.347 -179.876 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 2.3 tp10 -76.76 -32.83 57.99 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.204 -0.453 . . . . 10.0 111.014 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 45' ' ' SER . . . . . . . . . . . . . 4.3 p -83.58 -47.33 11.41 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.402 -0.363 . . . . 10.0 110.854 -179.626 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.322 0 CA-C-O 121.25 0.548 . . . . 10.0 110.729 179.891 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' C' C ' 3' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.15 0 N-CA-C 109.776 -0.453 . . . . 10.0 109.776 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 4' ' ' ALA . . . . . . . . . . . . . . . -72.34 -34.43 68.03 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.739 -0.664 . . . . 10.0 111.333 -179.271 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 5' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -72.16 -19.37 61.77 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.45 -0.341 . . . . 10.0 111.641 -179.56 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 6' ' ' LYS . . . . . . . . . . . . . 22.2 tptm -69.34 -33.12 72.63 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.734 0.302 . . . . 10.0 111.46 -178.936 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 7' ' ' ILE . . . . . . . . . . . . . 29.6 pt -86.49 -10.11 11.18 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 C-N-CA 120.966 -0.293 . . . . 10.0 111.427 -179.439 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 8' ' ' LEU . . . . . . . . . . . . . 2.9 mp -77.82 -20.7 52.73 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.207 0.527 . . . . 10.0 110.266 179.598 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 9' ' ' ASN . . . . . . . . . . . . . 28.1 t-20 -80.84 -15.5 56.21 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.663 0.744 . . . . 10.0 109.664 178.789 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 10' ' ' ASN . . . . . . . . . . . . . 7.4 m-80 -90.66 114.47 26.77 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.218 -0.901 . . . . 10.0 110.466 -179.419 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 11' ' ' ILE . . . . . . . . . . . . . 9.3 tp -63.63 -27.04 42.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-N 115.88 -0.6 . . . . 10.0 111.14 -179.664 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 12' ' ' ARG . . . . . . . . . . . . . 16.6 mmt180 -65.97 -42.89 89.32 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.152 -0.476 . . . . 10.0 111.496 -179.374 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 13' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -82.11 -35.33 28.67 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 120.854 0.359 . . . . 10.0 110.899 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 14' ' ' LEU . . . . . . . . . . . . . 10.2 tp -62.58 -37.92 88.1 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.952 0.406 . . . . 10.0 110.451 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 15' ' ' ARG . . . . . . . . . . . . . 16.3 mtt180 -67.78 -15.67 63.75 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.088 -0.505 . . . . 10.0 111.262 179.476 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 16' ' ' ALA . . . . . . . . . . . . . . . -98.33 -39.52 8.77 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.921 0.391 . . . . 10.0 110.912 179.909 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 17' ' ' GLN . . . . . . . . . . . . . 20.9 mm-40 -64.91 -35.89 82.61 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.002 -0.545 . . . . 10.0 111.121 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 18' ' ' ALA . . . . . . . . . . . . . . . -74.72 10.26 1.47 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.105 -0.498 . . . . 10.0 112.127 -179.355 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 19' ' ' ARG . . . . . . . . . . . . . 61.1 mtt-85 -102.02 -16.48 16.45 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.373 0.606 . . . . 10.0 109.952 179.439 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 20' ' ' GLU . . . . . . . . . . . . . 29.5 tt0 -93.01 -23.15 18.77 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.673 -0.694 . . . . 10.0 110.392 -179.826 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 21' ' ' CYS . . . . . . . . . . . . . 74.1 m -97.94 144.37 27.56 Favored 'General case' 0 CA--C 1.51 -0.56 0 CA-C-O 121.442 0.639 . . . . 0.0 111.058 -179.445 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 22' ' ' THR . . . . . . . . . . . . . 2.0 m -72.52 147.93 45.51 Favored 'General case' 0 C--O 1.238 0.482 0 CA-C-N 115.991 -0.549 . . . . 10.0 110.289 178.016 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 23' ' ' LEU . . . . . 0.419 HD13 ' HB3' ' B' ' 40' ' ' ARG . 46.0 tp -58.06 -38.05 75.59 Favored 'General case' 0 C--N 1.333 -0.145 0 O-C-N 123.136 0.273 . . . . 10.0 111.223 179.809 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 24' ' ' GLU . . . . . . . . . . . . . 40.5 tt0 -58.2 -48.99 78.62 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.831 0.348 . . . . 10.0 110.967 -179.876 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 25' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -64.99 -36.83 85.66 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.112 -0.495 . . . . 10.0 110.865 179.763 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 26' ' ' LEU . . . . . . . . . . . . . 20.8 mt -62.07 -41.48 98.2 Favored 'General case' 0 N--CA 1.463 0.219 0 CA-C-N 115.88 -0.6 . . . . 10.0 110.216 179.366 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 27' ' ' GLU . . . . . . . . . . . . . 25.7 tt0 -65.1 -48.06 75.0 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.087 -0.506 . . . . 10.0 110.571 179.348 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 28' ' ' GLU . . . . . . . . . . . . . 7.5 tt0 -57.29 -46.28 83.3 Favored 'General case' 0 C--O 1.234 0.267 0 CA-C-N 116.138 -0.483 . . . . 10.0 111.354 -179.128 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 29' ' ' MET . . . . . 0.416 ' SD ' HD23 ' B' ' 5' ' ' LEU . 19.2 ptp -75.83 -25.15 56.01 Favored 'General case' 0 C--N 1.326 -0.427 0 C-N-CA 120.743 -0.383 . . . . 10.0 111.667 -179.54 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 30' ' ' LEU . . . . . . . . . . . . . 26.3 tp -64.53 -44.92 89.34 Favored 'General case' 0 CA--C 1.52 -0.182 0 N-CA-C 109.541 -0.54 . . . . 10.0 109.541 179.088 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 31' ' ' GLU . . . . . . . . . . . . . 68.8 mt-10 -64.03 -31.38 72.55 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.773 -0.648 . . . . 10.0 109.911 179.233 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 32' ' ' LYS . . . . . 0.473 ' O ' HG23 ' C' ' 36' ' ' VAL . 86.3 mttt -70.96 -36.4 72.55 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.877 -0.601 . . . . 10.0 110.533 179.358 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 33' ' ' LEU . . . . . 0.443 ' O ' HG23 ' C' ' 37' ' ' VAL . 53.7 tp -73.41 -37.68 65.83 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 109.835 -0.431 . . . . 10.0 109.835 178.776 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 34' ' ' GLU . . . . . . . . . . . . . 15.5 tp10 -53.4 -49.48 67.18 Favored 'General case' 0 C--O 1.234 0.259 0 CA-C-N 115.47 -0.786 . . . . 10.0 111.02 179.791 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 35' ' ' VAL . . . . . 0.477 ' O ' ' HG3' ' C' ' 39' ' ' GLU . 16.1 m -68.11 -34.36 66.2 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 C-N-CA 120.886 -0.325 . . . . 10.0 111.379 -179.429 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 36' ' ' VAL . . . . . 0.473 HG23 ' O ' ' C' ' 32' ' ' LYS . 65.7 t -62.62 -46.55 96.12 Favored 'Isoleucine or valine' 0 C--O 1.233 0.187 0 N-CA-C 109.586 -0.524 . . . . 10.0 109.586 179.139 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 37' ' ' VAL . . . . . 0.443 HG23 ' O ' ' C' ' 33' ' ' LEU . 43.4 t -64.69 -39.54 85.98 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.267 0 N-CA-C 109.365 -0.606 . . . . 10.0 109.365 178.738 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 38' ' ' ASN . . . . . . . . . . . . . 1.1 t30 -59.52 -45.82 90.64 Favored 'General case' 0 C--O 1.234 0.237 0 CA-C-N 115.926 -0.579 . . . . 10.0 110.352 179.317 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 39' ' ' GLU . . . . . 0.477 ' HG3' ' O ' ' C' ' 35' ' ' VAL . 31.0 mt-10 -57.93 -42.16 84.24 Favored 'General case' 0 C--N 1.333 -0.136 0 CA-C-O 121.393 0.616 . . . . 10.0 109.417 178.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 40' ' ' ARG . . . . . . . . . . . . . 7.1 mmm180 -65.73 -38.81 90.16 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.038 -0.983 . . . . 10.0 110.337 179.229 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 41' ' ' ARG . . . . . 0.496 ' HD3' ' OE1' ' B' ' 27' ' ' GLU . 8.2 mmm180 -61.2 -42.94 99.48 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.811 -0.631 . . . . 10.0 109.618 178.631 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 42' ' ' GLU . . . . . . . . . . . . . 18.8 mt-10 -62.29 -43.94 97.66 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.428 -0.805 . . . . 10.0 111.159 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 43' ' ' GLU . . . . . . . . . . . . . 60.5 mt-10 -60.42 -52.29 65.87 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.241 -0.436 . . . . 10.0 111.244 -179.698 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 44' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -68.57 -14.65 63.15 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.295 -0.411 . . . . 10.0 111.122 -179.935 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 45' ' ' SER . . . . . . . . . . . . . 4.0 t -95.05 -11.68 27.94 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.889 0.376 . . . . 10.0 110.469 179.179 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 46' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.341 0 CA-C-N 116.098 -0.501 . . . . 10.0 110.833 -179.781 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.699 ' N ' ' HH ' ' A' ' 11' ' ' TYR . 4.5 mp . . . . . 0 N--CA 1.479 0.98 0 N-CA-C 109.956 -0.387 . . . . 10.0 109.956 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -85.07 159.2 20.24 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 120.874 0.369 . . . . 10.0 111.199 -179.339 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 66.8 tttt -59.84 -33.9 72.39 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.734 -0.666 . . . . 10.0 110.783 179.597 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -59.71 -41.46 90.87 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.402 -0.817 . . . . 10.0 111.506 179.872 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -60.98 -50.33 73.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.973 -0.558 . . . . 10.0 110.879 -179.858 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.699 ' HH ' ' N ' ' A' ' 6' ' ' LEU . 18.2 m-85 -64.54 -37.75 88.62 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.889 -0.596 . . . . 10.0 110.44 -179.8 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 38.9 tp -61.04 -40.96 95.61 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.896 -0.593 . . . . 10.0 110.694 -179.802 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 18.5 mmt -70.12 -36.94 75.17 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.981 0.419 . . . . 10.0 110.297 179.594 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.59 -34.58 78.56 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.995 -0.548 . . . . 10.0 110.521 179.65 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 52.7 mt -91.13 -11.62 37.98 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.383 -0.371 . . . . 10.0 111.606 -179.677 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -68.84 -21.64 64.27 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.068 0.461 . . . . 10.0 110.889 -179.934 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.444 HH11 ' HD3' ' A' ' 17' ' ' ARG . 18.5 mtm180 -89.34 -0.76 57.72 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.106 -0.497 . . . . 10.0 110.93 -179.75 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 26.7 m -97.34 131.17 44.27 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 120.797 0.332 . . . . 10.0 110.35 -179.78 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . 0.418 ' C ' ' H ' ' A' ' 21' ' ' ILE . 7.2 mm-40 -129.02 -175.93 3.71 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.013 -0.54 . . . . 10.0 110.642 -179.81 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . 0.404 ' O ' ' HB ' ' A' ' 21' ' ' ILE . 7.6 m 73.98 -18.06 0.42 Allowed 'General case' 0 CA--C 1.534 0.357 0 O-C-N 123.685 0.616 . . . . 10.0 111.521 179.257 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.418 ' H ' ' C ' ' A' ' 19' ' ' GLN . 75.7 mt 73.48 -44.57 0.14 Allowed 'Isoleucine or valine' 0 N--CA 1.469 0.506 0 C-N-CA 123.345 0.658 . . . . 10.0 111.463 179.674 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -55.18 -40.62 70.91 Favored 'General case' 0 N--CA 1.466 0.361 0 C-N-CA 122.884 0.474 . . . . 10.0 110.866 179.797 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 2.1 m -72.78 -33.66 66.44 Favored 'General case' 0 CA--C 1.533 0.304 0 CA-C-N 115.83 -0.623 . . . . 10.0 110.907 179.358 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.426 ' O ' HG12 ' A' ' 28' ' ' ILE . 16.6 tp -68.79 -40.06 79.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.963 -0.562 . . . . 10.0 110.004 179.598 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 3.8 tp10 -63.87 -22.83 67.1 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.492 -0.776 . . . . 10.0 110.955 179.761 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 73.7 mtt85 -92.12 -40.67 10.91 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.501 -0.318 . . . . 10.0 111.799 -179.503 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 6.5 p -64.19 -34.17 67.2 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.32 0 CA-C-N 116.555 -0.293 . . . . 10.0 111.675 -179.256 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.426 HG12 ' O ' ' A' ' 24' ' ' LEU . 23.3 pt -77.0 -27.86 16.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 C-N-CA 121.086 -0.246 . . . . 10.0 111.111 179.846 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 53.1 tp10 -73.42 -44.55 58.07 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.052 0.453 . . . . 10.0 110.037 179.67 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 23.2 mtpp -67.84 -41.98 82.12 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.841 -0.618 . . . . 10.0 110.583 179.696 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 59.6 t30 -68.73 -23.16 64.31 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.901 -0.591 . . . . 10.0 111.234 -179.485 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 28.0 ttmt -59.53 -33.14 71.02 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.385 -0.37 . . . . 10.0 111.234 -179.562 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 12.7 m-85 -94.77 5.21 52.53 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.603 0.24 . . . . 10.0 111.318 -179.217 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 30.0 mt-10 -111.22 -21.14 12.05 Favored 'General case' 0 C--N 1.324 -0.521 0 C-N-CA 121.008 -0.277 . . . . 10.0 111.451 -179.241 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 84.1 mt -77.33 169.59 18.04 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.936 0.398 . . . . 10.0 111.315 -179.41 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . 0.515 ' O ' ' HB2' ' A' ' 37' ' ' ASP . 1.4 m -84.3 -9.66 58.29 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.156 -0.475 . . . . 10.0 110.748 -179.105 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . 0.515 ' HB2' ' O ' ' A' ' 36' ' ' SER . 97.0 m-20 79.67 -22.88 0.26 Allowed 'General case' 0 C--O 1.252 1.187 0 C-N-CA 123.981 0.913 . . . . 0.0 110.983 177.552 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 1.1 p-10 -80.69 -27.79 36.93 Favored 'General case' 0 C--N 1.33 -0.248 0 O-C-N 120.775 -1.203 . . . . 10.0 110.588 179.436 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -102.59 3.74 37.64 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 121.293 0.568 . . . . 10.0 110.082 179.635 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 25.0 tp -66.6 -20.26 65.96 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.292 -0.867 . . . . 10.0 110.338 179.49 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -59.97 -42.81 94.95 Favored 'General case' 0 CA--C 1.53 0.176 0 CA-C-N 115.804 -0.635 . . . . 10.0 111.614 -179.858 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.413 HG23 ' HE2' ' A' ' 11' ' ' TYR . 4.7 m -82.17 -21.29 9.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 C-N-CA 120.927 -0.309 . . . . 10.0 110.83 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 75.5 t80 -67.95 -41.2 82.86 Favored 'General case' 0 C--N 1.33 -0.271 0 N-CA-C 109.478 -0.564 . . . . 10.0 109.478 179.119 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 2.9 m-85 -64.9 -34.19 77.81 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.846 -0.615 . . . . 10.0 110.08 178.806 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 1.6 t -64.88 -28.63 69.67 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.864 -0.607 . . . . 10.0 110.114 179.119 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -82.22 -43.98 16.94 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.89 -0.595 . . . . 10.0 109.982 178.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -60.06 -50.56 73.23 Favored 'General case' 0 C--N 1.333 -0.116 0 CA-C-N 115.848 -0.614 . . . . 10.0 110.945 179.901 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . 0.43 ' OD2' ' HA ' ' B' ' 10' ' ' ASN . 65.3 m-20 -57.84 -51.68 68.61 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.634 -0.712 . . . . 10.0 110.361 179.632 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' HIS . . . . . 0.446 ' CE1' HG12 ' A' ' 63' ' ' ILE . 4.6 t60 -58.46 -43.08 88.71 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.316 -0.856 . . . . 10.0 111.667 -179.123 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 30.3 tpt180 -66.58 -41.32 88.73 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.599 -0.273 . . . . 10.0 110.957 -179.614 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 31.5 tp -66.26 -38.3 87.49 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.846 0.355 . . . . 10.0 110.842 -179.797 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -58.59 -54.16 50.21 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.06 -0.518 . . . . 10.0 111.662 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -71.01 -30.79 67.12 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.262 -0.426 . . . . 10.0 111.466 -179.068 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 7.8 tp -66.65 -38.56 87.14 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.658 0.266 . . . . 10.0 111.143 -179.647 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 16.3 m -68.52 -33.57 74.35 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 116.407 -0.361 . . . . 10.0 110.344 179.834 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 1.5 tmm? -86.42 -9.39 56.38 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.384 -0.371 . . . . 10.0 110.968 179.863 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 38.2 t30 62.81 33.51 15.21 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.607 -0.724 . . . . 10.0 111.296 179.788 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 7.9 tptp -151.57 126.36 9.64 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.564 -0.289 . . . . 10.0 110.27 -179.913 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 8.7 mp -70.22 121.77 18.21 Favored 'General case' 0 C--O 1.236 0.377 0 CA-C-O 120.823 0.344 . . . . 10.0 111.007 -179.448 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 29.0 m-85 -126.62 121.26 31.67 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.908 -0.587 . . . . 10.0 111.24 -179.315 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 15.2 m-20 -65.68 -39.19 91.03 Favored 'General case' 0 C--N 1.33 -0.244 0 N-CA-C 108.931 -0.766 . . . . 10.0 108.931 178.552 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 23.8 mttt -112.32 138.35 49.17 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 108.174 -1.047 . . . . 10.0 108.174 178.161 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.446 HG12 ' CE1' ' A' ' 49' ' ' HIS . 50.0 mm -102.66 121.43 49.64 Favored Pre-proline 0 C--N 1.319 -0.728 0 C-N-CA 120.88 -0.328 . . . . 10.0 111.556 -178.851 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . 0.441 ' HD3' ' HA ' ' A' ' 63' ' ' ILE . 4.7 Cg_exo -75.73 119.29 5.38 Favored 'Trans proline' 0 N--CA 1.455 -0.748 0 C-N-CA 122.126 1.884 . . . . 10.0 109.683 177.089 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -42.15 -37.4 1.43 Allowed 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 113.286 0.847 . . . . 10.0 113.286 -178.867 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 88.6 p -58.73 -29.3 66.6 Favored 'General case' 0 C--O 1.255 1.371 0 O-C-N 121.466 -0.771 . . . . 0.0 110.968 -177.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.407 HG12 ' O ' ' A' ' 64' ' ' PRO . 1.8 p -74.67 -22.09 17.33 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.817 0 CA-C-N 119.124 0.874 . . . . 10.0 112.247 -176.703 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' TRP . . . . . 0.863 ' HB2' HG11 ' C' ' 35' ' ' VAL . 39.3 m95 -64.91 -16.56 63.42 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 112.293 0.479 . . . . 10.0 112.293 -178.471 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 4.3 tppp? -73.14 -10.19 59.52 Favored 'General case' 0 CA--C 1.535 0.375 0 CA-C-O 121.323 0.582 . . . . 10.0 110.397 179.808 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 72.7 m-85 -107.46 2.2 24.06 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.142 -0.481 . . . . 10.0 111.343 -179.496 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 2.9 mp -120.52 127.76 75.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 120.871 0.367 . . . . 10.0 111.637 -179.206 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . 0.519 ' HA ' ' NH2' ' B' ' 15' ' ' ARG . 15.0 mmt85 . . . . . 0 C--O 1.244 0.797 0 CA-C-O 118.23 -0.89 . . . . 10.0 110.288 179.475 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.259 0 CA-C-O 121.004 0.431 . . . . 10.0 110.336 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . -74.69 -45.97 40.86 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.067 -0.515 . . . . 10.0 110.76 179.912 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 10.8 mp -65.64 -19.61 65.98 Favored 'General case' 0 N--CA 1.464 0.273 0 CA-C-O 121.147 0.499 . . . . 10.0 111.074 -179.528 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 21.4 tttm -64.38 -40.89 96.72 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.609 -0.723 . . . . 10.0 111.334 -179.892 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 7' ' ' ILE . . . . . 0.49 HG13 ' H ' ' B' ' 7' ' ' ILE . 1.1 pp -101.91 -10.68 9.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-O 120.762 0.315 . . . . 10.0 111.828 -179.221 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -85.19 -10.14 56.99 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 116.464 -0.334 . . . . 10.0 111.702 -179.037 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 9' ' ' ASN . . . . . . . . . . . . . 38.1 t30 -99.86 26.33 6.42 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.122 0.487 . . . . 10.0 111.296 -179.097 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 10' ' ' ASN . . . . . 0.492 ' OD1' ' HB2' ' B' ' 12' ' ' ARG . 5.0 t-20 -140.14 126.09 19.6 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.228 -0.442 . . . . 10.0 110.515 179.693 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 11' ' ' ILE . . . . . 0.434 HD12 ' NH2' ' B' ' 15' ' ' ARG . 11.2 pt -63.82 -26.33 40.36 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.184 0 CA-C-N 116.226 -0.443 . . . . 10.0 112.062 -179.506 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 12' ' ' ARG . . . . . 0.492 ' HB2' ' OD1' ' B' ' 10' ' ' ASN . 22.6 mmt85 -66.55 -53.59 33.1 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.501 -0.318 . . . . 10.0 111.092 -179.259 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 13' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -71.34 -38.95 71.62 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.39 -0.368 . . . . 10.0 111.753 -179.838 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 15.9 tp -60.5 -42.35 96.2 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.219 -0.446 . . . . 10.0 111.594 -179.4 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 15' ' ' ARG . . . . . 0.531 ' HD3' ' OE1' ' C' ' 39' ' ' GLU . 14.1 mtm180 -72.56 -12.11 60.93 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 111.663 0.245 . . . . 10.0 111.663 -179.213 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 16' ' ' ALA . . . . . . . . . . . . . . . -95.65 -42.55 8.34 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.211 0.529 . . . . 10.0 110.777 179.543 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 17' ' ' GLN . . . . . 0.439 ' O ' ' HG2' ' B' ' 20' ' ' GLU . 9.6 tp60 -71.96 -30.39 65.24 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.724 -0.671 . . . . 10.0 111.283 -179.54 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -76.47 0.04 21.23 Favored 'General case' 0 C--N 1.33 -0.255 0 N-CA-C 112.23 0.456 . . . . 10.0 112.23 -179.295 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 13.4 mmm180 -76.43 -15.64 59.88 Favored 'General case' 0 C--N 1.331 -0.225 0 C-N-CA 121.074 -0.25 . . . . 10.0 111.267 -179.602 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 20' ' ' GLU . . . . . 0.439 ' HG2' ' O ' ' B' ' 17' ' ' GLN . 12.9 pt-20 -90.18 7.38 38.32 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.907 0.384 . . . . 10.0 110.841 179.796 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 21' ' ' CYS . . . . . 1.397 ' SG ' ' HB ' ' B' ' 25' ' ' THR . 53.8 t -122.73 138.72 54.53 Favored 'General case' 0 CA--C 1.511 -0.548 0 CA-C-N 116.54 -0.3 . . . . 0.0 110.994 178.814 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -74.72 166.32 23.77 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 116.243 -0.435 . . . . 10.0 110.069 178.586 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 55.8 tp -55.95 -40.34 73.05 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.497 0.189 . . . . 10.0 110.823 179.76 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 24' ' ' GLU . . . . . 0.466 ' O ' ' HB2' ' B' ' 28' ' ' GLU . 0.7 OUTLIER -57.68 -51.61 68.84 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.169 -0.469 . . . . 10.0 111.268 179.681 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 25' ' ' THR . . . . . 1.397 ' HB ' ' SG ' ' B' ' 21' ' ' CYS . 0.1 OUTLIER -63.12 -36.0 82.15 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.98 -0.555 . . . . 10.0 111.327 -179.365 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 26' ' ' LEU . . . . . 0.449 ' O ' ' HG3' ' B' ' 29' ' ' MET . 70.0 mt -70.28 -44.17 68.94 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.557 -0.292 . . . . 10.0 111.019 -179.834 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 27' ' ' GLU . . . . . 0.585 ' OE2' ' HD3' ' C' ' 41' ' ' ARG . 96.9 mt-10 -66.9 -36.28 81.92 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.216 0.532 . . . . 10.0 109.8 179.01 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 28' ' ' GLU . . . . . 0.466 ' HB2' ' O ' ' B' ' 24' ' ' GLU . 1.2 tm-20 -61.62 -46.18 90.91 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 114.998 -1.001 . . . . 10.0 111.094 -179.876 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 29' ' ' MET . . . . . 0.449 ' HG3' ' O ' ' B' ' 26' ' ' LEU . 4.8 ppp? -77.04 -23.8 52.05 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.463 -0.335 . . . . 10.0 111.875 -179.251 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 63.2 tp -61.43 -51.62 67.98 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 120.75 0.309 . . . . 10.0 111.143 -179.741 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 15.2 mt-10 -63.71 -27.24 69.07 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.261 -0.427 . . . . 10.0 110.832 -179.873 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 32' ' ' LYS . . . . . 0.419 ' O ' HG23 ' B' ' 36' ' ' VAL . 45.6 mttm -64.56 -46.38 83.06 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.267 -0.424 . . . . 10.0 110.304 179.299 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 32.2 tp -75.37 -32.77 60.93 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.8 0.333 . . . . 10.0 110.492 -179.862 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -57.3 -47.56 81.18 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.978 -0.555 . . . . 10.0 110.786 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 35' ' ' VAL . . . . . . . . . . . . . 34.0 m -66.65 -33.63 64.72 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.166 0 C-N-CA 120.929 -0.309 . . . . 10.0 110.938 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 36' ' ' VAL . . . . . 0.419 HG23 ' O ' ' B' ' 32' ' ' LYS . 74.9 t -64.35 -53.02 48.16 Favored 'Isoleucine or valine' 0 C--O 1.232 0.16 0 CA-C-O 120.746 0.308 . . . . 10.0 110.203 179.183 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 48.1 t -62.83 -36.2 74.45 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-N 116.212 -0.449 . . . . 10.0 109.903 179.37 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 23.2 t30 -59.81 -51.56 69.22 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.903 -0.59 . . . . 10.0 110.078 178.691 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 92.3 mt-10 -60.07 -47.52 85.55 Favored 'General case' 0 CA--C 1.517 -0.291 0 CA-C-N 115.826 -0.625 . . . . 10.0 110.556 179.586 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 28.3 mmm-85 -58.62 -40.71 84.08 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.065 -0.516 . . . . 10.0 110.023 179.173 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 41' ' ' ARG . . . . . 0.407 ' HG2' HD21 ' C' ' 23' ' ' LEU . 74.1 mtt180 -58.91 -52.78 64.26 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.803 -0.635 . . . . 10.0 109.945 178.906 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 1.5 tp10 -58.17 -47.46 83.31 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.941 -0.572 . . . . 10.0 111.199 -179.662 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 61.2 mt-10 -59.6 -45.77 90.93 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.162 -0.472 . . . . 10.0 111.362 -179.363 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 47.5 mt-10 -81.71 6.72 14.44 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.927 0.394 . . . . 10.0 111.775 -179.331 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 45' ' ' SER . . . . . . . . . . . . . 71.1 m -115.16 -29.54 6.59 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.942 0.401 . . . . 10.0 109.963 178.163 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 115.887 -0.597 . . . . 10.0 110.604 179.205 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' C' C ' 3' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.176 0 CA-C-O 120.932 0.396 . . . . 10.0 110.647 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 4' ' ' ALA . . . . . . . . . . . . . . . -63.06 -39.77 95.7 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.188 0.518 . . . . 10.0 110.669 -179.804 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 5' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -79.12 -3.67 46.62 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.854 -0.612 . . . . 10.0 110.725 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 6' ' ' LYS . . . . . . . . . . . . . 23.3 tptm -85.68 -53.86 4.89 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.236 -0.438 . . . . 10.0 110.179 179.837 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 7' ' ' ILE . . . . . . . . . . . . . 9.7 pt -68.49 -24.76 29.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-N 115.942 -0.572 . . . . 10.0 111.743 -179.703 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 8' ' ' LEU . . . . . . . . . . . . . 3.9 mp -73.96 -10.8 60.01 Favored 'General case' 0 CA--C 1.532 0.254 0 CA-C-O 120.83 0.347 . . . . 10.0 111.478 179.893 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 9' ' ' ASN . . . . . . . . . . . . . 7.0 t-20 -89.43 2.93 53.81 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.22 0.534 . . . . 10.0 109.712 179.26 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 10' ' ' ASN . . . . . 0.524 ' HB3' ' OG1' ' C' ' 13' ' ' THR . 58.2 t-20 -118.33 119.67 35.33 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.938 -0.574 . . . . 10.0 110.051 179.69 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 11' ' ' ILE . . . . . . . . . . . . . 10.0 tp -64.4 -28.34 44.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 115.904 -0.589 . . . . 10.0 111.927 -179.079 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 12' ' ' ARG . . . . . . . . . . . . . 40.3 mmt180 -65.77 -51.04 62.38 Favored 'General case' 0 C--O 1.234 0.25 0 CA-C-O 120.748 0.309 . . . . 10.0 110.797 -179.424 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 13' ' ' THR . . . . . 0.524 ' OG1' ' HB3' ' C' ' 10' ' ' ASN . 0.3 OUTLIER -71.77 -35.93 70.2 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.016 -0.538 . . . . 10.0 110.713 179.887 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' C' C ' 14' ' ' LEU . . . . . . . . . . . . . 15.7 tp -59.66 -44.82 93.41 Favored 'General case' 0 N--CA 1.456 -0.167 0 CA-C-N 115.838 -0.619 . . . . 10.0 110.638 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 15' ' ' ARG . . . . . . . . . . . . . 15.1 mtt85 -66.43 -27.97 68.24 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.5 -0.318 . . . . 10.0 111.149 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 16' ' ' ALA . . . . . . . . . . . . . . . -79.15 -48.46 14.24 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.339 -0.391 . . . . 10.0 111.369 -179.563 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 17' ' ' GLN . . . . . . . . . . . . . 50.4 tt0 -66.89 -36.82 83.16 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.26 -0.427 . . . . 10.0 111.394 -179.387 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 18' ' ' ALA . . . . . . . . . . . . . . . -67.72 -20.93 65.32 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.857 0.36 . . . . 10.0 111.527 -179.834 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 19' ' ' ARG . . . . . . . . . . . . . 53.0 mtt180 -80.74 -1.69 43.82 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.842 0.354 . . . . 10.0 111.237 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 20' ' ' GLU . . . . . . . . . . . . . 24.9 mt-10 -96.14 18.14 14.21 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.102 0.477 . . . . 10.0 110.687 179.9 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 21' ' ' CYS . . . . . 0.454 ' SG ' HD21 ' C' ' 26' ' ' LEU . 29.5 p -153.57 162.64 41.07 Favored 'General case' 0 C--N 1.318 -0.777 0 C-N-CA 123.533 0.733 . . . . 0.0 110.939 178.868 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 22' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -79.89 166.71 21.39 Favored 'General case' 0 C--N 1.318 -0.778 0 O-C-N 123.832 0.707 . . . . 10.0 111.083 179.254 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 23' ' ' LEU . . . . . 0.407 HD21 ' HG2' ' B' ' 41' ' ' ARG . 46.1 tp -60.47 -37.22 80.32 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.053 -0.521 . . . . 10.0 110.405 -179.833 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 24' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -52.59 -50.6 62.69 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.159 -0.928 . . . . 10.0 112.007 -179.881 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 25' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -67.78 -37.45 82.08 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.865 0.364 . . . . 10.0 111.371 -179.282 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 26' ' ' LEU . . . . . 0.454 HD21 ' SG ' ' C' ' 21' ' ' CYS . 46.1 mt -69.1 -29.42 67.5 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.086 0.469 . . . . 10.0 110.781 -179.847 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 27' ' ' GLU . . . . . . . . . . . . . 5.7 tt0 -68.24 -55.75 11.13 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.638 -0.71 . . . . 10.0 111.648 -179.336 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 28' ' ' GLU . . . . . . . . . . . . . 5.4 tt0 -65.79 -16.92 64.24 Favored 'General case' 0 N--CA 1.464 0.241 0 CA-C-O 120.723 0.297 . . . . 10.0 111.42 -178.814 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 29' ' ' MET . . . . . . . . . . . . . 3.4 ptp -87.69 -24.58 23.83 Favored 'General case' 0 C--N 1.326 -0.436 0 C-N-CA 120.315 -0.554 . . . . 10.0 109.993 178.819 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 30' ' ' LEU . . . . . . . . . . . . . 15.0 tp -75.86 -47.28 26.17 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.315 -0.402 . . . . 10.0 110.354 179.733 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 31' ' ' GLU . . . . . . . . . . . . . 7.7 pt-20 -57.9 -37.43 74.01 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.961 -0.563 . . . . 10.0 110.891 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 32' ' ' LYS . . . . . 0.552 ' O ' HG23 ' C' ' 36' ' ' VAL . 86.0 mttt -74.73 -28.06 60.63 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.281 -0.418 . . . . 10.0 111.183 179.893 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 33' ' ' LEU . . . . . . . . . . . . . 32.2 tp -77.85 -47.57 18.49 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 111.752 0.279 . . . . 10.0 111.752 -179.163 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 34' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -60.35 -35.13 74.95 Favored 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 112.158 0.429 . . . . 10.0 112.158 -178.421 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 35' ' ' VAL . . . . . 0.863 HG11 ' HB2' ' A' ' 68' ' ' TRP . 33.8 m -72.77 -33.51 44.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 C-N-CA 120.946 -0.301 . . . . 10.0 111.512 -179.852 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 36' ' ' VAL . . . . . 0.552 HG23 ' O ' ' C' ' 32' ' ' LYS . 59.7 t -63.12 -40.64 89.79 Favored 'Isoleucine or valine' 0 C--O 1.233 0.2 0 N-CA-C 108.851 -0.796 . . . . 10.0 108.851 178.621 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 37' ' ' VAL . . . . . . . . . . . . . 44.9 t -67.93 -39.06 81.03 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 115.391 -0.822 . . . . 10.0 109.218 178.326 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 38' ' ' ASN . . . . . 0.602 ' O ' ' HB2' ' C' ' 41' ' ' ARG . 4.6 t-20 -63.57 -39.3 94.04 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.662 -0.699 . . . . 10.0 110.717 179.857 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 39' ' ' GLU . . . . . 0.531 ' OE1' ' HD3' ' B' ' 15' ' ' ARG . 37.8 mt-10 -66.66 -39.76 88.34 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.057 0.456 . . . . 10.0 110.058 179.159 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 40' ' ' ARG . . . . . . . . . . . . . 10.3 mmm180 -65.61 -25.63 67.47 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.998 -0.546 . . . . 10.0 109.567 178.615 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 41' ' ' ARG . . . . . 0.602 ' HB2' ' O ' ' C' ' 38' ' ' ASN . 5.2 mmm-85 -64.7 -60.55 2.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.191 -0.913 . . . . 10.0 110.58 179.7 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 42' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -59.49 -33.78 71.76 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.206 0.527 . . . . 10.0 110.312 179.76 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 43' ' ' GLU . . . . . . . . . . . . . 30.9 tt0 -62.0 -45.66 92.65 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.603 -0.726 . . . . 10.0 110.576 179.39 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 44' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -79.99 -20.42 45.52 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.128 -0.487 . . . . 10.0 111.117 -179.557 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 45' ' ' SER . . . . . . . . . . . . . 50.5 m -77.05 -25.54 52.6 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.454 -0.339 . . . . 10.0 111.203 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 46' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.426 0 CA-C-O 121.275 0.559 . . . . 10.0 110.556 179.955 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.525 ' HB2' ' CZ ' ' A' ' 11' ' ' TYR . 18.1 mt . . . . . 0 N--CA 1.479 0.997 0 CA-C-O 120.821 0.343 . . . . 10.0 110.315 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -68.77 155.23 40.54 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.944 -0.571 . . . . 10.0 111.116 179.799 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 24.9 tttt -58.36 -40.17 81.54 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.099 -0.5 . . . . 10.0 110.94 -179.902 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . 0.4 ' O ' ' HG2' ' A' ' 13' ' ' MET . 0.0 OUTLIER -69.44 -28.29 65.99 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.916 -0.584 . . . . 10.0 111.618 179.624 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -64.14 -50.44 68.22 Favored 'General case' 0 N--CA 1.464 0.246 0 CA-C-O 121.044 0.449 . . . . 10.0 110.857 -179.606 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.525 ' CZ ' ' HB2' ' A' ' 6' ' ' LEU . 46.6 m-85 -65.13 -35.72 81.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.801 -0.636 . . . . 10.0 109.862 179.642 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 60.9 tp -59.88 -42.72 94.4 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.798 -0.637 . . . . 10.0 110.752 179.471 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . 0.4 ' HG2' ' O ' ' A' ' 9' ' ' THR . 84.2 mmm -67.57 -39.85 84.89 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.233 -0.439 . . . . 10.0 110.86 -179.889 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.33 -37.69 83.71 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.023 0.44 . . . . 10.0 110.52 179.591 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 97.8 mt -78.23 -15.72 58.52 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.306 -0.407 . . . . 10.0 111.257 -179.413 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.507 ' HA ' ' NE ' ' A' ' 50' ' ' ARG . 55.3 mtt180 -77.1 -6.94 54.74 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.143 0.497 . . . . 10.0 110.318 179.243 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.401 HH11 ' HD3' ' A' ' 17' ' ' ARG . 11.2 mmm-85 -84.41 -13.44 52.18 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.726 -0.67 . . . . 10.0 109.209 178.477 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 6.2 m -90.12 138.63 31.36 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.322 -0.854 . . . . 10.0 110.066 179.432 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 3.8 mm-40 -130.28 178.27 6.71 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.438 -0.347 . . . . 10.0 110.477 -179.435 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER 64.0 0.32 0.95 Allowed 'General case' 0 N--CA 1.47 0.54 0 N-CA-C 113.172 0.804 . . . . 10.0 113.172 178.671 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 68.3 mt 71.79 -43.54 0.13 Allowed 'Isoleucine or valine' 0 N--CA 1.471 0.588 0 C-N-CA 122.964 0.506 . . . . 10.0 111.414 -179.337 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 8.1 t70 -53.86 -47.86 70.59 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 111.858 0.318 . . . . 10.0 111.858 -179.821 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -59.45 -39.82 84.83 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.993 0.425 . . . . 10.0 110.347 179.562 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.529 ' O ' HG12 ' A' ' 28' ' ' ILE . 24.9 tp -66.65 -44.48 81.8 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.74 -0.664 . . . . 10.0 109.797 179.508 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 8.1 tp10 -56.79 -41.34 77.54 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.531 -0.758 . . . . 10.0 111.305 179.887 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 3.3 mtt180 -79.29 -38.11 36.17 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.946 -0.57 . . . . 10.0 112.257 -178.871 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.503 HG12 ' HA ' ' A' ' 24' ' ' LEU . 4.4 p -69.1 -34.91 66.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 N-CA-C 112.146 0.424 . . . . 10.0 112.146 -178.519 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.529 HG12 ' O ' ' A' ' 24' ' ' LEU . 45.8 pt -74.84 -25.81 19.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-O 121.052 0.453 . . . . 10.0 110.564 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 19.3 tp10 -79.17 -45.01 20.77 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.054 -0.521 . . . . 10.0 110.811 179.67 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 33.0 tttp -69.52 -44.46 70.95 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.301 -0.409 . . . . 10.0 111.547 -178.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . 0.409 ' O ' ' HG ' ' A' ' 35' ' ' LEU . 7.9 t30 -70.8 -12.25 61.44 Favored 'General case' 0 N--CA 1.464 0.241 0 CA-C-N 116.238 -0.437 . . . . 10.0 111.481 -178.737 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 38.6 ttmt -59.2 -46.05 89.47 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.196 -0.457 . . . . 10.0 111.725 -179.633 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -83.96 -8.18 59.23 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.272 -0.422 . . . . 10.0 111.299 -178.694 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 79.5 mt-10 -99.19 3.43 46.44 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 116.252 -0.431 . . . . 10.0 111.53 -179.151 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.409 ' HG ' ' O ' ' A' ' 31' ' ' ASN . 40.2 mt -92.3 171.2 9.22 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.012 -0.54 . . . . 10.0 110.312 178.933 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . 0.412 ' O ' ' HB2' ' A' ' 37' ' ' ASP . 0.7 OUTLIER -93.21 1.2 57.18 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 116.334 -0.394 . . . . 10.0 110.39 -179.663 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . 0.412 ' HB2' ' O ' ' A' ' 36' ' ' SER . 97.2 m-20 73.9 -1.61 3.02 Favored 'General case' 0 C--O 1.252 1.213 0 C-N-CA 124.874 1.27 . . . . 0.0 111.049 179.11 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 27.3 t-20 -97.47 -39.9 8.94 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-O 121.458 0.647 . . . . 10.0 109.409 179.423 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -84.42 -5.66 59.3 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 114.873 -1.058 . . . . 10.0 109.941 179.598 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 48.8 tp -60.43 -28.87 68.61 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.616 -0.72 . . . . 10.0 110.577 179.619 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -62.1 -55.08 32.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.86 -0.609 . . . . 10.0 111.042 -179.864 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 11.8 m -73.96 -23.4 18.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.392 -0.367 . . . . 10.0 111.293 -179.598 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 52.3 t80 -64.99 -40.35 94.83 Favored 'General case' 0 C--O 1.235 0.316 0 CA-C-N 116.392 -0.367 . . . . 10.0 110.065 179.504 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 3.0 m-85 -61.81 -47.24 85.97 Favored 'General case' 0 CA--C 1.52 -0.211 0 CA-C-N 116.003 -0.544 . . . . 10.0 110.259 179.299 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 23.0 m -60.14 -38.05 81.92 Favored 'General case' 0 C--O 1.237 0.43 0 CA-C-N 115.816 -0.629 . . . . 10.0 111.634 179.867 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -67.49 -43.05 81.86 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.033 -0.531 . . . . 10.0 110.42 179.865 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -66.13 -44.85 83.04 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.928 -0.578 . . . . 10.0 110.377 179.337 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 48.7 m-20 -58.65 -42.69 88.96 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.683 -0.689 . . . . 10.0 110.155 179.287 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 5.1 t60 -63.35 -47.61 81.44 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.79 -0.641 . . . . 10.0 110.342 179.72 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . 0.507 ' NE ' ' HA ' ' A' ' 16' ' ' ARG . 30.5 tpt180 -62.85 -38.2 89.85 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.615 -0.72 . . . . 10.0 111.082 -179.458 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 32.3 tp -69.78 -42.28 74.0 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.519 -0.31 . . . . 10.0 110.782 -179.813 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.493 ' HA ' HD11 ' A' ' 71' ' ' ILE . . . -59.83 -49.4 77.84 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 112.101 0.408 . . . . 10.0 112.101 -179.724 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 16.5 pt-20 -67.0 -33.38 75.44 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.71 0.29 . . . . 10.0 111.266 -179.376 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.419 HD12 ' HA ' ' A' ' 54' ' ' LEU . 8.1 tp -72.97 -35.62 66.96 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.964 0.411 . . . . 10.0 111.02 -179.585 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 48.2 m -66.08 -31.73 72.78 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.311 -0.404 . . . . 10.0 111.315 -179.611 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 79.2 mmm -98.24 -3.71 36.85 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.725 -0.216 . . . . 10.0 111.169 179.66 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 63.5 t30 57.99 44.07 20.17 Favored 'General case' 0 N--CA 1.464 0.257 0 CA-C-O 121.608 0.718 . . . . 10.0 110.628 -179.834 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 15.6 tptp -158.82 116.85 2.89 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.808 -0.633 . . . . 10.0 110.289 -179.818 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 5.4 mp -71.37 125.36 26.79 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.978 0.418 . . . . 10.0 110.642 -179.76 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 27.6 m-85 -130.16 139.34 50.88 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.74 -0.664 . . . . 10.0 110.598 -179.699 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 64.4 m-20 -70.19 -33.76 72.11 Favored 'General case' 0 C--N 1.331 -0.239 0 N-CA-C 109.35 -0.611 . . . . 10.0 109.35 178.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -114.45 157.55 22.76 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 108.689 -0.856 . . . . 10.0 108.689 178.443 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 47.6 mm -117.54 125.28 28.22 Favored Pre-proline 0 C--N 1.32 -0.703 0 C-N-CA 120.596 -0.442 . . . . 10.0 111.398 -179.237 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 19.6 Cg_exo -65.51 131.34 27.63 Favored 'Trans proline' 0 C--N 1.347 0.494 0 C-N-CA 122.588 2.192 . . . . 10.0 111.689 178.555 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -55.89 -31.74 63.1 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 112.669 0.618 . . . . 10.0 112.669 -179.038 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 96.3 p -84.31 0.58 48.56 Favored 'General case' 0 C--O 1.257 1.489 0 O-C-N 121.737 -0.602 . . . . 0.0 111.008 -177.216 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -90.74 -18.56 7.47 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.011 0 CA-C-N 119.545 1.066 . . . . 10.0 111.143 -179.005 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' TRP . . . . . 0.636 ' HB2' HG11 ' C' ' 35' ' ' VAL . 86.3 m95 -65.42 -18.32 65.23 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.931 0.396 . . . . 10.0 111.576 -179.049 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 12.4 tptp -68.48 -22.1 64.57 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.348 -0.387 . . . . 10.0 110.743 179.7 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 91.2 m-85 -88.43 -5.26 58.37 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.346 -0.388 . . . . 10.0 110.727 179.836 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.493 HD11 ' HA ' ' A' ' 52' ' ' ALA . 1.6 mp -84.74 129.31 37.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-N 115.93 -0.577 . . . . 10.0 109.736 179.55 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 50.9 mtp180 . . . . . 0 C--O 1.248 1.019 0 CA-C-O 118.408 -0.806 . . . . 10.0 110.431 -179.597 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 CA--C 1.529 0.135 0 CA-C-O 120.794 0.33 . . . . 10.0 110.585 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . -62.78 -41.13 99.1 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.124 -0.489 . . . . 10.0 110.939 179.777 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 10.4 mp -71.61 -14.3 62.02 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.983 -0.553 . . . . 10.0 110.938 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 36.3 ttmt -79.73 -39.73 30.45 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.274 -0.421 . . . . 10.0 110.497 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 7' ' ' ILE . . . . . . . . . . . . . 31.6 pt -86.62 -21.48 7.38 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.185 0 CA-C-N 116.161 -0.472 . . . . 10.0 111.038 -179.52 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 1.2 tp -82.15 -6.77 59.44 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.168 -0.469 . . . . 10.0 110.674 -179.851 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 9' ' ' ASN . . . . . . . . . . . . . 55.3 t30 -73.82 -33.47 64.17 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.895 -0.593 . . . . 10.0 111.343 -179.468 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 10' ' ' ASN . . . . . . . . . . . . . 14.3 t-20 -99.83 140.77 33.56 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.223 0.535 . . . . 10.0 111.452 -179.321 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 74.5 mt -68.41 -33.82 62.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 115.601 -0.727 . . . . 10.0 112.387 -178.609 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 12' ' ' ARG . . . . . . . . . . . . . 97.6 mtt180 -65.68 -37.84 87.61 Favored 'General case' 0 N--CA 1.465 0.325 0 N-CA-C 111.756 0.28 . . . . 10.0 111.756 -178.671 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 13' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -76.28 -35.09 59.07 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 120.977 0.418 . . . . 10.0 110.534 179.456 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 24.2 tp -69.65 -41.45 75.55 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.697 -0.683 . . . . 10.0 111.187 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 15' ' ' ARG . . . . . 0.408 HH11 ' HD2' ' B' ' 15' ' ' ARG . 30.1 mtt180 -53.41 -40.43 65.12 Favored 'General case' 0 N--CA 1.467 0.41 0 CA-C-N 116.311 -0.404 . . . . 10.0 111.753 -179.768 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 16' ' ' ALA . . . . . . . . . . . . . . . -62.54 -51.9 65.55 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 112.493 0.553 . . . . 10.0 112.493 -178.686 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 17' ' ' GLN . . . . . 0.612 ' O ' ' HG2' ' B' ' 20' ' ' GLU . 0.0 OUTLIER -71.58 -19.63 62.11 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 121.456 0.646 . . . . 10.0 111.22 -179.271 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -74.63 -10.08 59.19 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.316 -0.402 . . . . 10.0 111.327 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 15.5 mmm180 -83.92 -18.09 38.52 Favored 'General case' 0 C--N 1.328 -0.334 0 C-N-CA 121.231 -0.188 . . . . 10.0 111.188 -179.736 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 20' ' ' GLU . . . . . 0.612 ' HG2' ' O ' ' B' ' 17' ' ' GLN . 10.7 pt-20 -95.27 -14.2 24.2 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.176 0.512 . . . . 10.0 110.704 179.707 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 21' ' ' CYS . . . . . . . . . . . . . 76.8 m -95.15 132.48 40.04 Favored 'General case' 0 CA--C 1.511 -0.53 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.949 178.144 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -63.63 153.34 36.28 Favored 'General case' 0 C--N 1.314 -0.943 0 O-C-N 123.853 0.721 . . . . 10.0 110.934 179.477 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 47.0 tp -55.45 -41.97 73.61 Favored 'General case' 0 N--CA 1.461 0.121 0 N-CA-C 109.733 -0.469 . . . . 10.0 109.733 179.498 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -55.63 -50.03 71.27 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 115.53 -0.759 . . . . 10.0 110.542 178.609 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -62.86 -42.59 99.81 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.635 -0.711 . . . . 10.0 111.604 -179.633 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 69.1 mt -61.24 -44.27 97.53 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.314 -0.403 . . . . 10.0 111.111 -179.579 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 27' ' ' GLU . . . . . 0.426 ' OE2' ' HD3' ' C' ' 41' ' ' ARG . 51.1 mt-10 -69.6 -40.63 76.56 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.036 0.446 . . . . 10.0 109.938 179.189 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 28' ' ' GLU . . . . . 0.526 ' O ' ' HG3' ' B' ' 32' ' ' LYS . 0.6 OUTLIER -60.78 -44.87 96.23 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.732 -0.667 . . . . 10.0 111.227 -179.784 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 29' ' ' MET . . . . . . . . . . . . . 5.5 ppp? -75.8 -28.27 58.28 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.603 -0.271 . . . . 10.0 111.218 -179.34 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 35.6 tp -58.13 -47.39 83.45 Favored 'General case' 0 C--O 1.233 0.193 0 CA-C-O 120.946 0.403 . . . . 10.0 110.457 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 23.7 mt-10 -64.72 -34.91 79.43 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.753 -0.658 . . . . 10.0 110.808 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 32' ' ' LYS . . . . . 0.526 ' HG3' ' O ' ' B' ' 28' ' ' GLU . 43.1 mttm -64.74 -44.61 89.57 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.063 -0.517 . . . . 10.0 110.974 -179.615 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 52.4 tp -70.41 -37.06 74.39 Favored 'General case' 0 C--N 1.324 -0.502 0 C-N-CA 120.585 -0.446 . . . . 10.0 109.989 179.22 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 8.9 tt0 -60.94 -47.54 85.97 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.905 -0.589 . . . . 10.0 111.416 -179.649 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 35' ' ' VAL . . . . . . . . . . . . . 27.4 m -63.21 -32.16 55.35 Favored 'Isoleucine or valine' 0 C--O 1.233 0.199 0 C-N-CA 120.892 -0.323 . . . . 10.0 111.732 -179.253 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 36' ' ' VAL . . . . . 0.525 HG23 ' O ' ' B' ' 32' ' ' LYS . 59.4 t -69.66 -41.48 80.17 Favored 'Isoleucine or valine' 0 C--O 1.233 0.193 0 N-CA-C 109.213 -0.662 . . . . 10.0 109.213 178.599 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 69.9 t -65.82 -38.96 83.41 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.227 0 N-CA-C 108.742 -0.836 . . . . 10.0 108.742 178.145 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 22.0 t30 -62.15 -43.47 98.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.447 -0.797 . . . . 10.0 109.757 178.276 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 39' ' ' GLU . . . . . 0.602 ' O ' ' HG3' ' B' ' 43' ' ' GLU . 18.2 mt-10 -59.16 -51.05 71.67 Favored 'General case' 0 N--CA 1.453 -0.317 0 CA-C-N 115.605 -0.725 . . . . 10.0 109.625 178.364 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 13.5 mmm-85 -60.69 -38.73 85.95 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 115.863 -0.608 . . . . 10.0 110.899 179.326 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 41' ' ' ARG . . . . . . . . . . . . . 91.8 mtt180 -57.42 -47.04 82.8 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.22 -0.446 . . . . 10.0 110.076 179.048 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 5.6 tp10 -60.8 -45.41 94.52 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.882 -0.599 . . . . 10.0 110.954 -179.924 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 43' ' ' GLU . . . . . 0.602 ' HG3' ' O ' ' B' ' 39' ' ' GLU . 19.2 mt-10 -65.02 -36.01 83.0 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.411 -0.359 . . . . 10.0 110.664 -179.877 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -67.05 -38.79 86.47 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.13 -0.486 . . . . 10.0 111.076 -179.91 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 45' ' ' SER . . . . . . . . . . . . . 2.5 p -81.33 -24.38 37.17 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 111.712 0.264 . . . . 10.0 111.712 179.885 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.327 -0.376 0 CA-C-O 120.815 0.34 . . . . 10.0 111.353 -179.491 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' C' C ' 3' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 . . . . . 0 C--O 1.233 0.203 0 N-CA-C 112.112 0.412 . . . . 10.0 112.112 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' C' C ' 4' ' ' ALA . . . . . . . . . . . . . . . -57.53 -45.75 84.68 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.892 -0.595 . . . . 10.0 112.341 -178.932 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 5' ' ' LEU . . . . . 0.424 ' HA ' HD13 ' C' ' 8' ' ' LEU . 3.2 mm? -80.97 -15.56 55.88 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 112.233 0.457 . . . . 10.0 112.233 -178.568 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 6' ' ' LYS . . . . . . . . . . . . . 84.1 tttt -70.48 -34.58 72.54 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 111.898 0.333 . . . . 10.0 111.898 -178.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 7' ' ' ILE . . . . . . . . . . . . . 49.6 pt -73.31 -6.87 8.84 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 C-N-CA 121.043 -0.263 . . . . 10.0 111.447 -179.174 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 8' ' ' LEU . . . . . 0.424 HD13 ' HA ' ' C' ' 5' ' ' LEU . 2.6 mp -88.67 -7.26 56.64 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.881 0.372 . . . . 10.0 110.531 179.785 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 9' ' ' ASN . . . . . . . . . . . . . 23.4 t-20 -79.17 -30.44 43.49 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.103 -0.499 . . . . 10.0 110.062 179.702 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 10' ' ' ASN . . . . . 0.441 HD21 ' HB2' ' C' ' 12' ' ' ARG . 29.2 t30 -90.25 117.66 29.16 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.568 -0.742 . . . . 10.0 109.341 179.156 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 11' ' ' ILE . . . . . . . . . . . . . 8.4 tp -62.97 -25.6 38.93 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 116.291 -0.413 . . . . 10.0 111.651 -178.877 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 12' ' ' ARG . . . . . 0.441 ' HB2' HD21 ' C' ' 10' ' ' ASN . 33.9 mmt180 -65.53 -45.69 82.47 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.584 0.23 . . . . 10.0 110.746 -179.671 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 13' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -75.35 -38.25 60.2 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.843 0.354 . . . . 10.0 110.484 179.759 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 14' ' ' LEU . . . . . . . . . . . . . 34.1 tp -62.2 -47.69 83.32 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.823 -0.626 . . . . 10.0 110.735 179.863 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 15' ' ' ARG . . . . . . . . . . . . . 30.1 ttm105 -63.61 -30.22 71.36 Favored 'General case' 0 C--O 1.235 0.29 0 CA-C-N 116.139 -0.482 . . . . 10.0 111.026 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 16' ' ' ALA . . . . . . . . . . . . . . . -80.98 -40.68 23.99 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.349 -0.387 . . . . 10.0 111.043 -179.786 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 17' ' ' GLN . . . . . 0.434 ' O ' ' HB2' ' C' ' 20' ' ' GLU . 4.0 tp60 -67.24 -30.59 70.54 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.003 -0.544 . . . . 10.0 110.517 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 18' ' ' ALA . . . . . . . . . . . . . . . -66.85 -18.23 65.27 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.396 -0.365 . . . . 10.0 111.742 -179.776 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 19' ' ' ARG . . . . . . . . . . . . . 89.2 mtt-85 -78.6 -5.6 53.29 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 120.836 0.351 . . . . 10.0 110.797 -179.807 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 20' ' ' GLU . . . . . 0.434 ' HB2' ' O ' ' C' ' 17' ' ' GLN . 0.4 OUTLIER -76.5 -22.67 54.15 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.068 -0.514 . . . . 10.0 111.485 -179.622 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' C' C ' 21' ' ' CYS . . . . . . . . . . . . . 73.2 m -131.24 166.66 20.68 Favored 'General case' 0 CA--C 1.511 -0.554 0 CA-C-O 122.276 1.036 . . . . 0.0 111.006 -179.472 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 22' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -78.12 160.75 27.86 Favored 'General case' 0 C--O 1.239 0.533 0 CA-C-N 114.58 -1.191 . . . . 10.0 111.048 179.111 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 53.2 tp -56.32 -37.25 69.67 Favored 'General case' 0 C--O 1.225 -0.226 0 O-C-N 123.26 0.35 . . . . 10.0 111.471 -179.369 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 24' ' ' GLU . . . . . . . . . . . . . 7.3 tt0 -52.84 -51.73 59.83 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.978 0.418 . . . . 10.0 110.457 179.538 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 25' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -66.6 -41.38 88.54 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.862 -0.608 . . . . 10.0 111.201 179.409 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 26' ' ' LEU . . . . . . . . . . . . . 87.0 mt -61.58 -45.74 92.84 Favored 'General case' 0 N--CA 1.465 0.289 0 CA-C-O 120.949 0.404 . . . . 10.0 111.132 -179.665 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 27' ' ' GLU . . . . . 0.455 ' O ' ' HG3' ' C' ' 31' ' ' GLU . 21.3 tt0 -68.87 -41.31 78.58 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 116.377 -0.374 . . . . 10.0 110.369 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 28' ' ' GLU . . . . . 0.54 ' O ' ' HG2' ' C' ' 32' ' ' LYS . 33.3 tt0 -58.37 -47.18 84.65 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.061 -0.518 . . . . 10.0 110.891 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 29' ' ' MET . . . . . . . . . . . . . 21.9 ptp -70.91 -27.36 63.73 Favored 'General case' 0 C--N 1.332 -0.187 0 C-N-CA 120.993 -0.283 . . . . 10.0 110.963 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 30' ' ' LEU . . . . . . . . . . . . . 23.5 tp -66.0 -40.37 91.08 Favored 'General case' 0 C--N 1.332 -0.169 0 N-CA-C 109.696 -0.483 . . . . 10.0 109.696 179.015 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 31' ' ' GLU . . . . . 0.455 ' HG3' ' O ' ' C' ' 27' ' ' GLU . 46.4 mt-10 -63.45 -27.18 69.11 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.631 -0.713 . . . . 10.0 110.675 179.52 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 32' ' ' LYS . . . . . 0.54 ' HG2' ' O ' ' C' ' 28' ' ' GLU . 23.3 mmtp -77.16 -32.86 56.54 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.933 -0.576 . . . . 10.0 110.094 179.725 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 33' ' ' LEU . . . . . . . . . . . . . 18.4 tp -76.62 -43.88 36.51 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.865 -0.607 . . . . 10.0 112.176 -178.718 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 34' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -59.93 -40.56 89.34 Favored 'General case' 0 C--N 1.33 -0.271 0 N-CA-C 112.276 0.473 . . . . 10.0 112.276 -178.171 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 35' ' ' VAL . . . . . 0.636 HG11 ' HB2' ' A' ' 68' ' ' TRP . 19.2 m -70.14 -27.99 34.34 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.2 0 C-N-CA 120.639 -0.424 . . . . 10.0 111.063 -179.872 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 36' ' ' VAL . . . . . . . . . . . . . 19.5 t -67.62 -41.2 85.38 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 N-CA-C 109.187 -0.671 . . . . 10.0 109.187 178.662 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 37' ' ' VAL . . . . . . . . . . . . . 79.1 t -64.05 -35.59 74.11 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.36 0 CA-C-N 115.739 -0.664 . . . . 10.0 109.471 178.486 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 38' ' ' ASN . . . . . . . . . . . . . 1.6 t30 -59.66 -48.64 80.88 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 115.967 -0.561 . . . . 10.0 110.235 179.826 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 39' ' ' GLU . . . . . . . . . . . . . 17.0 mt-10 -58.89 -44.84 91.26 Favored 'General case' 0 C--O 1.233 0.218 0 CA-C-N 116.019 -0.537 . . . . 10.0 110.366 179.496 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 40' ' ' ARG . . . . . 0.456 ' HA ' HH11 ' C' ' 40' ' ' ARG . 7.5 mmm180 -60.86 -38.28 85.04 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.655 -0.702 . . . . 10.0 110.3 179.825 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 41' ' ' ARG . . . . . 0.426 ' HD3' ' OE2' ' B' ' 27' ' ' GLU . 11.3 mmm180 -64.65 -44.31 90.87 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.854 -0.612 . . . . 10.0 110.041 179.128 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 42' ' ' GLU . . . . . . . . . . . . . 54.6 mt-10 -57.75 -42.94 85.01 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.664 -0.698 . . . . 10.0 111.055 -179.794 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 43' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -61.76 -53.03 61.57 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.302 0.573 . . . . 10.0 111.738 -179.845 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 44' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -68.45 -24.28 64.7 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.752 -0.658 . . . . 10.0 112.394 -178.225 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 45' ' ' SER . . . . . . . . . . . . . 68.9 m -73.34 -23.92 60.29 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.142 0.496 . . . . 10.0 110.343 179.216 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 46' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 115.953 -0.567 . . . . 10.0 110.665 179.416 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 12.0 tp . . . . . 0 N--CA 1.475 0.823 0 N-CA-C 109.716 -0.475 . . . . 10.0 109.716 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -103.61 171.84 7.14 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.095 0.474 . . . . 10.0 111.589 -179.073 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 43.6 mttt -67.71 -37.2 81.92 Favored 'General case' 0 C--O 1.224 -0.249 0 CA-C-N 115.665 -0.698 . . . . 10.0 110.304 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -59.69 -35.07 73.75 Favored 'General case' 0 C--O 1.236 0.384 0 CA-C-N 115.855 -0.611 . . . . 10.0 112.319 -178.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 28.0 m-20 -65.56 -32.4 73.96 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.02 -0.536 . . . . 10.0 110.279 -179.773 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 55.4 m-85 -88.76 -31.4 18.42 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.123 -0.489 . . . . 10.0 109.907 179.15 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 67.3 tp -58.63 -49.54 77.14 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.712 -0.676 . . . . 10.0 110.909 -179.918 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 78.0 mmm -62.19 -23.55 66.68 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.951 0.405 . . . . 10.0 111.102 -179.357 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.71 -38.97 32.26 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.125 -0.489 . . . . 10.0 109.961 179.389 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 74.9 mt -82.14 -18.56 42.45 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.77 -0.65 . . . . 10.0 111.187 -179.538 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.466 ' HA ' ' CZ ' ' A' ' 50' ' ' ARG . 27.0 mtt180 -69.69 -11.7 61.05 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.328 -0.397 . . . . 10.0 110.984 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 80.8 mtm-85 -87.87 -6.16 58.23 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.274 -0.421 . . . . 10.0 110.186 178.84 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 39.5 m -98.54 132.71 43.74 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.998 -0.546 . . . . 10.0 109.928 179.152 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -127.92 -175.37 3.46 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.457 -0.338 . . . . 10.0 110.909 -179.331 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 1.2 m 70.68 -2.3 2.3 Favored 'General case' 0 CA--C 1.534 0.349 0 C-N-CA 123.353 0.661 . . . . 10.0 112.552 178.499 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 84.1 mt 72.23 -55.59 0.28 Allowed 'Isoleucine or valine' 0 N--CA 1.472 0.668 0 C-N-CA 122.962 0.505 . . . . 10.0 111.468 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 32.2 t70 -56.41 -41.91 77.11 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.211 -0.449 . . . . 10.0 111.203 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 8.1 m -60.99 -34.9 75.52 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.182 0.515 . . . . 10.0 110.218 179.058 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.406 ' O ' HG12 ' A' ' 27' ' ' VAL . 20.4 tp -70.76 -36.31 73.05 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.612 -0.722 . . . . 10.0 109.897 179.369 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 2.1 tp10 -66.89 -31.09 71.46 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.148 0.499 . . . . 10.0 110.242 179.865 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 58.3 mtt180 -73.91 -41.46 62.07 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.795 -0.639 . . . . 10.0 111.318 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.438 ' O ' ' HB2' ' A' ' 31' ' ' ASN . 13.0 p -68.84 -42.39 82.63 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.333 0 CA-C-N 116.644 -0.253 . . . . 10.0 111.632 -178.921 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 46.2 pt -68.08 -30.95 49.79 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 O-C-N 122.161 -0.337 . . . . 10.0 111.18 -179.487 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 9.6 tp10 -67.81 -54.19 21.09 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.276 -0.42 . . . . 10.0 110.264 179.645 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 29.1 tttp -64.96 -32.34 74.02 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.099 -0.501 . . . . 10.0 111.029 -179.795 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . 0.438 ' HB2' ' O ' ' A' ' 27' ' ' VAL . 0.7 OUTLIER -66.86 -34.56 78.07 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.974 -0.557 . . . . 10.0 111.623 -179.532 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 3.6 mtmp? -61.21 -32.88 72.65 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 112.061 0.393 . . . . 10.0 112.061 -178.855 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 10.0 m-85 -82.02 -3.84 55.42 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.801 0.334 . . . . 10.0 111.046 -179.217 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 4.9 tt0 -112.32 -14.99 13.25 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 121.012 0.434 . . . . 10.0 110.963 -179.324 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 61.9 mt -79.01 163.69 24.99 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.216 -0.447 . . . . 10.0 110.572 -179.777 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . 0.513 ' O ' ' HB2' ' A' ' 37' ' ' ASP . 0.7 OUTLIER -95.94 -1.68 48.66 Favored 'General case' 0 C--N 1.321 -0.645 0 N-CA-C 109.537 -0.542 . . . . 10.0 109.537 179.789 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . 0.513 ' HB2' ' O ' ' A' ' 36' ' ' SER . 97.1 m-20 80.57 -10.37 1.26 Allowed 'General case' 0 C--O 1.248 1.016 0 C-N-CA 125.044 1.338 . . . . 0.0 111.012 178.943 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . 0.436 ' OD1' ' HB2' ' A' ' 36' ' ' SER . 2.3 p-10 -85.88 -29.31 23.78 Favored 'General case' 0 C--N 1.332 -0.18 0 O-C-N 120.917 -1.114 . . . . 10.0 109.777 178.377 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -89.5 -5.53 57.21 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.671 -0.695 . . . . 10.0 109.639 179.634 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 21.2 tp -64.1 -23.03 67.17 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.406 -0.815 . . . . 10.0 110.924 -179.649 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -64.13 -49.61 71.46 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.234 -0.439 . . . . 10.0 111.138 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 2.8 m -80.19 -22.93 11.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.406 -0.361 . . . . 10.0 111.128 -179.806 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 53.8 t80 -72.5 -37.0 68.53 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.028 -0.533 . . . . 10.0 110.203 179.66 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -58.77 -51.73 68.75 Favored 'General case' 0 CA--C 1.52 -0.183 0 CA-C-N 116.298 -0.41 . . . . 10.0 110.867 179.813 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 13.0 m -59.87 -35.99 75.96 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.414 -0.357 . . . . 10.0 111.102 179.687 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -65.26 -46.73 79.32 Favored 'General case' 0 C--O 1.234 0.283 0 CA-C-N 116.308 -0.405 . . . . 10.0 110.266 179.321 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -66.39 -43.01 87.05 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.186 -0.461 . . . . 10.0 110.097 179.215 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -58.8 -46.71 86.96 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.769 -0.65 . . . . 10.0 110.121 179.469 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 5.9 t60 -63.34 -46.05 88.41 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.713 -0.676 . . . . 10.0 110.352 179.451 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . 0.466 ' CZ ' ' HA ' ' A' ' 16' ' ' ARG . 31.0 tpt180 -64.72 -39.85 94.35 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.969 -0.559 . . . . 10.0 111.462 -179.209 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 36.7 tp -61.83 -42.22 98.76 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.62 0.248 . . . . 10.0 110.626 -179.751 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.603 ' HA ' HD11 ' A' ' 71' ' ' ILE . . . -60.03 -49.33 78.09 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.236 -0.438 . . . . 10.0 111.914 -179.745 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -74.44 -29.73 61.6 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.486 -0.324 . . . . 10.0 111.662 -178.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 15.8 tp -73.51 -40.81 63.77 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 120.504 0.192 . . . . 10.0 111.398 -179.335 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 23.6 m -64.31 -34.45 78.16 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.974 0.416 . . . . 10.0 110.592 179.735 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 88.2 mmm -84.98 -12.9 52.24 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.918 -0.583 . . . . 10.0 110.351 179.165 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 49.7 t30 62.21 38.03 13.8 Favored 'General case' 0 C--O 1.233 0.199 0 CA-C-N 115.491 -0.777 . . . . 10.0 110.88 -179.521 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 22.6 tptp -150.88 121.1 7.25 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.758 -0.655 . . . . 10.0 109.744 -179.911 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 6.3 mp -66.14 127.13 30.92 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 120.944 0.402 . . . . 10.0 110.953 -179.824 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 38.0 m-85 -127.43 128.2 45.38 Favored 'General case' 0 C--O 1.238 0.462 0 CA-C-N 116.007 -0.542 . . . . 10.0 111.438 -179.576 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -65.97 -46.0 79.66 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 108.336 -0.987 . . . . 10.0 108.336 177.489 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 34.3 pttt -114.93 151.45 34.03 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 114.797 -1.092 . . . . 10.0 108.485 178.153 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 27.8 mm -110.68 127.18 27.38 Favored Pre-proline 0 C--N 1.321 -0.641 0 N-CA-C 112.187 0.44 . . . . 10.0 112.187 -178.134 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . 0.446 ' O ' HG12 ' A' ' 67' ' ' VAL . 49.5 Cg_endo -74.23 137.03 22.99 Favored 'Trans proline' 0 C--N 1.345 0.367 0 C-N-CA 122.41 2.073 . . . . 10.0 111.518 178.047 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . 0.494 ' HA ' ' CD1' ' A' ' 68' ' ' TRP . 0.9 OUTLIER -61.1 -24.54 66.31 Favored 'General case' 0 C--N 1.321 -0.652 0 N-CA-C 113.335 0.865 . . . . 10.0 113.335 -178.41 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 95.7 p -76.71 -5.41 47.93 Favored 'General case' 0 C--O 1.258 1.512 0 O-C-N 121.375 -0.828 . . . . 0.0 111.003 -177.864 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.446 HG12 ' O ' ' A' ' 64' ' ' PRO . 1.9 p -97.85 -17.88 6.57 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.348 0 CA-C-N 119.876 1.216 . . . . 10.0 112.32 -177.651 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' TRP . . . . . 0.562 ' HB2' HG11 ' C' ' 35' ' ' VAL . 76.0 m95 -64.15 -24.12 67.57 Favored 'General case' 0 N--CA 1.463 0.213 0 CA-C-O 120.86 0.362 . . . . 10.0 111.586 -179.101 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 21.5 tptp -65.98 -25.88 67.3 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.21 -0.45 . . . . 10.0 111.862 -178.918 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 89.3 m-85 -93.61 0.98 56.79 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.756 0.312 . . . . 10.0 111.637 -178.914 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.603 HD11 ' HA ' ' A' ' 52' ' ' ALA . 1.4 mp -87.88 138.1 19.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-O 121.0 0.428 . . . . 10.0 110.781 -179.47 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 31.9 mtp-105 . . . . . 0 C--O 1.249 1.041 0 CA-C-O 118.127 -0.94 . . . . 10.0 109.906 179.68 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.451 -0.395 0 N-CA-C 109.565 -0.532 . . . . 10.0 109.565 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . -67.03 -45.16 78.33 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.603 -0.726 . . . . 10.0 110.861 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 5' ' ' LEU . . . . . 0.7 ' CD2' ' SG ' ' C' ' 21' ' ' CYS . 7.0 mp -78.33 0.9 23.68 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.296 -0.411 . . . . 10.0 111.289 -179.787 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 35.3 ttpt -92.88 -48.48 6.52 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.072 -0.513 . . . . 10.0 109.812 179.062 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 7' ' ' ILE . . . . . . . . . . . . . 1.1 pt -73.9 -18.93 17.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-N 115.831 -0.622 . . . . 10.0 111.094 -179.858 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 1.4 mp -74.39 -19.0 60.59 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.917 -0.583 . . . . 10.0 111.863 -179.522 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 9' ' ' ASN . . . . . . . . . . . . . 13.1 t-20 -86.26 -17.65 34.13 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.857 0.36 . . . . 10.0 110.945 -179.371 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 10' ' ' ASN . . . . . 0.504 ' OD1' ' HB2' ' B' ' 12' ' ' ARG . 12.8 t-20 -99.28 123.21 43.38 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-O 120.917 0.389 . . . . 10.0 110.472 -179.717 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 81.7 mt -58.0 -37.23 60.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 CA-C-N 115.734 -0.666 . . . . 10.0 112.085 -179.295 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 12' ' ' ARG . . . . . 0.504 ' HB2' ' OD1' ' B' ' 10' ' ' ASN . 99.7 mtt180 -61.17 -53.45 56.77 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 111.862 0.319 . . . . 10.0 111.862 -178.952 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 13' ' ' THR . . . . . 0.45 ' OG1' ' HB3' ' B' ' 10' ' ' ASN . 0.6 OUTLIER -67.58 -35.41 78.96 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 120.783 0.325 . . . . 10.0 111.2 -179.72 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 14' ' ' LEU . . . . . 0.401 HD12 ' HA ' ' B' ' 14' ' ' LEU . 12.8 tp -66.53 -38.39 87.08 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.283 -0.417 . . . . 10.0 110.83 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 15' ' ' ARG . . . . . 0.409 ' O ' ' HG2' ' B' ' 19' ' ' ARG . 19.9 mtt85 -59.73 -46.24 89.73 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.368 -0.378 . . . . 10.0 110.542 179.525 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 16' ' ' ALA . . . . . . . . . . . . . . . -70.14 -34.45 73.06 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.085 -0.507 . . . . 10.0 110.76 -179.728 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 17' ' ' GLN . . . . . . . . . . . . . 24.5 tp60 -67.61 -40.83 84.7 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.777 -0.647 . . . . 10.0 110.819 179.808 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -75.43 6.69 4.29 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 112.219 0.451 . . . . 10.0 112.219 -179.316 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 19' ' ' ARG . . . . . 0.409 ' HG2' ' O ' ' B' ' 15' ' ' ARG . 30.5 mmt180 -94.44 -8.44 38.56 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 122.322 -0.236 . . . . 10.0 110.918 179.609 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 2.9 pt-20 -88.17 -18.33 28.96 Favored 'General case' 0 N--CA 1.463 0.206 0 CA-C-O 120.913 0.387 . . . . 10.0 110.768 -179.774 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 21' ' ' CYS . . . . . 0.998 ' SG ' HD21 ' B' ' 26' ' ' LEU . 32.0 p -120.86 159.56 25.26 Favored 'General case' 0 CA--C 1.51 -0.574 0 CA-C-O 121.33 0.586 . . . . 0.0 111.013 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -85.55 170.77 12.28 Favored 'General case' 0 N--CA 1.452 -0.35 0 CA-C-N 115.558 -0.746 . . . . 10.0 110.697 179.153 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 52.3 tp -63.67 -31.79 73.07 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.657 -0.247 . . . . 10.0 111.116 -179.275 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 4.2 tp10 -52.27 -49.51 63.97 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.034 0.445 . . . . 10.0 110.832 179.631 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -73.19 -39.34 65.67 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.884 -0.598 . . . . 10.0 111.314 -179.947 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 26' ' ' LEU . . . . . 0.998 HD21 ' SG ' ' B' ' 21' ' ' CYS . 89.9 mt -65.14 -47.54 76.72 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.2 -0.455 . . . . 10.0 111.928 -179.295 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 27' ' ' GLU . . . . . 0.561 ' OE1' ' HD3' ' C' ' 41' ' ' ARG . 1.8 tp10 -63.15 -36.37 83.38 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.044 0.45 . . . . 10.0 110.929 -179.8 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 13.4 tt0 -70.64 -45.61 64.84 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.365 -0.38 . . . . 10.0 111.046 -179.846 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 29' ' ' MET . . . . . 0.534 ' HG3' ' O ' ' B' ' 26' ' ' LEU . 5.3 ppp? -66.91 -26.42 66.86 Favored 'General case' 0 CA--C 1.52 -0.183 0 N-CA-C 110.272 -0.269 . . . . 10.0 110.272 179.916 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 19.7 tp -59.2 -49.06 79.28 Favored 'General case' 0 N--CA 1.455 -0.189 0 N-CA-C 109.32 -0.622 . . . . 10.0 109.32 178.825 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 59.3 mt-10 -62.82 -45.73 91.24 Favored 'General case' 0 CA--C 1.52 -0.207 0 CA-C-N 115.631 -0.713 . . . . 10.0 110.297 179.2 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 32' ' ' LYS . . . . . 0.442 ' O ' HG23 ' B' ' 36' ' ' VAL . 81.2 mttt -59.27 -41.31 88.54 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.553 -0.749 . . . . 10.0 111.887 -179.077 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 33' ' ' LEU . . . . . 0.694 HD23 HD22 ' C' ' 33' ' ' LEU . 25.9 tp -78.36 -35.11 47.86 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 120.877 0.37 . . . . 10.0 110.75 179.722 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 16.0 tt0 -63.65 -44.18 94.57 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.106 -0.497 . . . . 10.0 110.915 -179.736 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 35' ' ' VAL . . . . . 0.407 ' O ' ' HG3' ' B' ' 39' ' ' GLU . 30.0 m -64.69 -29.9 48.7 Favored 'Isoleucine or valine' 0 C--N 1.334 -0.098 0 C-N-CA 120.721 -0.392 . . . . 10.0 110.526 179.892 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 36' ' ' VAL . . . . . 0.442 HG23 ' O ' ' B' ' 32' ' ' LYS . 46.4 t -65.79 -45.78 90.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 N-CA-C 109.343 -0.614 . . . . 10.0 109.343 178.547 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 37' ' ' VAL . . . . . 0.419 HG23 ' O ' ' B' ' 33' ' ' LEU . 48.1 t -63.47 -35.89 74.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 115.765 -0.652 . . . . 10.0 109.338 178.88 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 5.4 t-20 -63.95 -44.85 91.59 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.496 -0.774 . . . . 10.0 109.896 179.017 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 39' ' ' GLU . . . . . 0.456 ' O ' ' HG3' ' B' ' 43' ' ' GLU . 95.6 mt-10 -61.84 -47.3 85.69 Favored 'General case' 0 C--O 1.234 0.241 0 CA-C-N 116.016 -0.538 . . . . 10.0 109.644 178.741 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -59.65 -41.04 89.66 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 115.544 -0.753 . . . . 10.0 110.588 179.626 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 41' ' ' ARG . . . . . 0.401 HH21 ' CD ' ' C' ' 27' ' ' GLU . 38.9 mtt180 -64.82 -36.72 85.24 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.204 -0.453 . . . . 10.0 110.26 179.241 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 34.4 tt0 -64.43 -44.67 90.46 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.171 -0.468 . . . . 10.0 109.831 179.117 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 43' ' ' GLU . . . . . 0.456 ' HG3' ' O ' ' B' ' 39' ' ' GLU . 42.6 mt-10 -55.5 -51.45 66.97 Favored 'General case' 0 N--CA 1.463 0.186 0 CA-C-N 115.855 -0.611 . . . . 10.0 110.632 179.419 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -66.85 -34.7 78.38 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.466 -0.788 . . . . 10.0 111.955 -178.924 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 45' ' ' SER . . . . . . . . . . . . . 44.9 m -72.9 -25.18 60.97 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.881 0.372 . . . . 10.0 111.262 -179.719 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.43 0 CA-C-N 116.315 -0.402 . . . . 10.0 111.54 -179.461 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' C' C ' 3' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 . . . . . 0 N--CA 1.452 -0.352 0 CA-C-O 121.049 0.452 . . . . 10.0 110.585 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' C' C ' 4' ' ' ALA . . . . . . . . . . . . . . . -96.12 -29.07 14.29 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.977 -0.556 . . . . 10.0 111.28 -179.369 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 5' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -78.29 -1.81 34.89 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.023 -0.535 . . . . 10.0 112.181 -178.864 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 6' ' ' LYS . . . . . . . . . . . . . 27.0 tptt -75.42 -39.22 59.18 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.636 0.255 . . . . 10.0 111.619 -179.217 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 7' ' ' ILE . . . . . 0.415 ' H ' HG13 ' C' ' 7' ' ' ILE . 1.4 pp -72.49 -20.14 19.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 N-CA-C 112.392 0.516 . . . . 10.0 112.392 -178.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 8' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -79.74 -6.56 57.48 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 121.265 0.555 . . . . 10.0 110.642 179.901 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 9' ' ' ASN . . . . . . . . . . . . . 28.5 t-20 -84.42 -27.65 27.43 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.947 -0.57 . . . . 10.0 110.509 179.857 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 10' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -99.12 121.61 41.24 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.826 -0.625 . . . . 10.0 110.347 -179.215 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 11' ' ' ILE . . . . . . . . . . . . . 10.3 tp -62.83 -26.01 39.77 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.4 0 CA-C-N 116.462 -0.336 . . . . 10.0 111.647 -179.431 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 12' ' ' ARG . . . . . . . . . . . . . 9.3 mmt180 -62.1 -56.06 22.65 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 121.048 0.451 . . . . 10.0 110.921 -179.612 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 13' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -69.55 -39.64 77.31 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.968 -0.56 . . . . 10.0 110.799 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 14' ' ' LEU . . . . . . . . . . . . . 13.2 tp -54.73 -53.55 53.49 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.463 -0.79 . . . . 10.0 112.075 -179.106 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 15' ' ' ARG . . . . . . . . . . . . . 34.8 ttm180 -65.43 -36.01 82.65 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.632 0.254 . . . . 10.0 111.266 -179.611 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 16' ' ' ALA . . . . . . . . . . . . . . . -66.55 -39.2 88.43 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.304 -0.407 . . . . 10.0 111.846 -179.396 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 17' ' ' GLN . . . . . . . . . . . . . 45.3 mt-30 -83.26 -31.19 27.08 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.556 -0.293 . . . . 10.0 111.346 -179.613 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 18' ' ' ALA . . . . . . . . . . . . . . . -69.65 -24.68 63.65 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.683 0.277 . . . . 10.0 111.364 -179.776 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 19' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -72.19 -12.21 61.08 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.784 0.326 . . . . 10.0 111.27 -179.777 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 20' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -82.22 -30.41 30.82 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 120.964 0.412 . . . . 10.0 110.47 -179.736 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 21' ' ' CYS . . . . . 0.7 ' SG ' ' CD2' ' B' ' 5' ' ' LEU . 74.6 m -94.61 151.34 19.4 Favored 'General case' 0 CA--C 1.511 -0.54 0 CA-C-N 115.815 -0.629 . . . . 0.0 110.914 179.931 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 22' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -72.53 154.54 40.77 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.62 -0.718 . . . . 10.0 110.945 178.339 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 37.9 tp -58.39 -31.73 67.94 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.343 -0.389 . . . . 10.0 111.054 179.707 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 24' ' ' GLU . . . . . . . . . . . . . 14.2 tt0 -58.8 -49.93 75.86 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.175 -0.466 . . . . 10.0 110.954 179.694 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 25' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -64.49 -35.25 80.34 Favored 'General case' 0 N--CA 1.45 -0.454 0 CA-C-N 116.35 -0.386 . . . . 10.0 110.865 179.872 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 26' ' ' LEU . . . . . . . . . . . . . 95.6 mt -64.68 -48.33 75.12 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.993 -0.549 . . . . 10.0 110.422 179.547 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 27' ' ' GLU . . . . . 0.401 ' CD ' HH21 ' B' ' 41' ' ' ARG . 59.0 mt-10 -66.66 -37.12 84.14 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.265 -0.425 . . . . 10.0 110.916 179.92 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 28' ' ' GLU . . . . . . . . . . . . . 15.0 tt0 -61.51 -47.24 86.52 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.055 -0.521 . . . . 10.0 110.864 -179.922 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 29' ' ' MET . . . . . . . . . . . . . 21.0 ptp -76.78 -25.12 53.01 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.442 -0.345 . . . . 10.0 111.227 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 30' ' ' LEU . . . . . . . . . . . . . 26.3 tp -62.87 -38.26 90.17 Favored 'General case' 0 C--O 1.232 0.153 0 CA-C-O 120.803 0.335 . . . . 10.0 110.196 179.721 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 31' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -62.86 -34.65 77.81 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.794 -0.639 . . . . 10.0 110.431 179.586 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 32' ' ' LYS . . . . . . . . . . . . . 22.2 mmtp -75.65 -37.11 59.93 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.888 -0.596 . . . . 10.0 109.564 179.48 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 33' ' ' LEU . . . . . 0.694 HD22 HD23 ' B' ' 33' ' ' LEU . 15.8 tp -65.82 -49.44 68.22 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.495 -0.775 . . . . 10.0 111.56 -179.578 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 34' ' ' GLU . . . . . . . . . . . . . 14.8 pt-20 -58.87 -42.44 89.41 Favored 'General case' 0 C--N 1.33 -0.245 0 N-CA-C 111.84 0.311 . . . . 10.0 111.84 -178.726 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 35' ' ' VAL . . . . . 0.562 HG11 ' HB2' ' A' ' 68' ' ' TRP . 33.8 m -72.28 -36.57 56.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 C-N-CA 120.411 -0.516 . . . . 10.0 111.223 -179.679 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 36' ' ' VAL . . . . . . . . . . . . . 11.8 t -67.15 -45.89 85.53 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.336 0 CA-C-O 120.998 0.428 . . . . 10.0 110.334 179.675 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 37' ' ' VAL . . . . . . . . . . . . . 60.7 t -62.72 -36.25 74.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.166 -0.47 . . . . 10.0 109.77 178.646 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 38' ' ' ASN . . . . . 0.668 ' O ' ' HG3' ' C' ' 42' ' ' GLU . 10.9 t30 -63.64 -36.42 83.77 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.912 -0.586 . . . . 10.0 110.393 179.307 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 39' ' ' GLU . . . . . 0.483 ' O ' ' HG3' ' C' ' 43' ' ' GLU . 3.6 mt-10 -61.12 -40.26 93.12 Favored 'General case' 0 N--CA 1.461 0.119 0 CA-C-O 120.916 0.389 . . . . 10.0 110.092 179.412 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 40' ' ' ARG . . . . . 0.538 ' HD2' ' OE1' ' C' ' 43' ' ' GLU . 10.4 mmm180 -71.19 -31.89 68.18 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 115.951 -0.568 . . . . 10.0 109.606 178.725 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 41' ' ' ARG . . . . . 0.561 ' HD3' ' OE1' ' B' ' 27' ' ' GLU . 6.2 mmm-85 -63.28 -45.46 91.34 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.519 -0.764 . . . . 10.0 110.235 178.718 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 42' ' ' GLU . . . . . 0.668 ' HG3' ' O ' ' C' ' 38' ' ' ASN . 30.4 mt-10 -56.55 -37.99 71.27 Favored 'General case' 0 C--N 1.333 -0.14 0 CA-C-N 115.908 -0.587 . . . . 10.0 110.33 179.879 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 43' ' ' GLU . . . . . 0.538 ' OE1' ' HD2' ' C' ' 40' ' ' ARG . 55.1 mt-10 -63.35 -38.78 92.49 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.726 -0.67 . . . . 10.0 111.403 -179.761 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 44' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -77.94 -38.61 45.02 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.468 -0.333 . . . . 10.0 111.386 -179.673 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 45' ' ' SER . . . . . . . . . . . . . 8.9 m -72.59 -20.49 61.29 Favored 'General case' 0 C--O 1.233 0.236 0 N-CA-C 112.054 0.39 . . . . 10.0 112.054 -178.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 46' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.418 0 CA-C-O 121.198 0.523 . . . . 10.0 110.163 179.299 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.601 ' N ' ' HH ' ' A' ' 11' ' ' TYR . 67.2 mt . . . . . 0 N--CA 1.48 1.056 0 N-CA-C 110.038 -0.356 . . . . 10.0 110.038 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -86.92 158.89 19.2 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.386 -0.37 . . . . 10.0 110.068 179.746 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 51.6 tttt -56.51 -34.29 66.84 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.184 -0.462 . . . . 10.0 110.936 179.575 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -73.58 -27.93 61.57 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.829 -0.623 . . . . 10.0 111.419 179.885 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 11.9 m-20 -62.76 -50.81 69.59 Favored 'General case' 0 CA--C 1.52 -0.208 0 CA-C-O 121.067 0.461 . . . . 10.0 110.309 -179.746 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.601 ' HH ' ' N ' ' A' ' 6' ' ' LEU . 44.1 m-85 -65.2 -38.42 90.39 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.716 -0.674 . . . . 10.0 109.953 179.922 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 37.5 tp -61.02 -45.4 94.98 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.917 -0.583 . . . . 10.0 110.631 179.559 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 59.8 mmm -64.77 -27.1 68.67 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.485 -0.325 . . . . 10.0 111.292 -179.923 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -78.7 -45.65 20.82 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.202 0.525 . . . . 10.0 109.65 179.207 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 88.0 mt -74.03 -21.76 59.83 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.79 -0.641 . . . . 10.0 111.79 -179.138 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.527 ' HA ' ' NE ' ' A' ' 50' ' ' ARG . 33.8 mtt180 -72.54 -9.79 59.0 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.832 0.349 . . . . 10.0 111.012 179.676 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.409 HH11 ' HD3' ' A' ' 17' ' ' ARG . 20.9 mtm-85 -88.62 -10.85 47.22 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 109.209 -0.663 . . . . 10.0 109.209 178.294 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 57.4 m -93.63 136.75 33.6 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.439 -0.8 . . . . 10.0 109.067 178.931 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 4.1 mm-40 -130.62 -175.42 3.65 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.574 -0.285 . . . . 10.0 111.581 -178.824 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 1.1 m 70.01 -4.1 1.59 Allowed 'General case' 0 CA--C 1.538 0.483 0 CA-C-N 115.608 -0.724 . . . . 10.0 112.722 178.61 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 73.5 mt 72.07 -53.32 0.26 Allowed 'Isoleucine or valine' 0 N--CA 1.471 0.604 0 C-N-CA 123.04 0.536 . . . . 10.0 111.36 -179.854 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 6.1 t70 -53.83 -45.08 70.76 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.723 -0.671 . . . . 10.0 111.852 -179.848 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 1.6 m -65.29 -33.26 75.56 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.875 0.369 . . . . 10.0 110.942 179.853 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 25.3 tp -67.7 -51.04 54.17 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.125 -0.489 . . . . 10.0 110.894 179.775 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 33.5 mt-10 -64.33 -14.93 59.06 Favored 'General case' 0 N--CA 1.464 0.269 0 CA-C-N 116.211 -0.449 . . . . 10.0 111.5 -179.458 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 8.1 ttm105 -87.19 -44.49 11.44 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.372 -0.377 . . . . 10.0 111.088 179.8 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 10.7 p -73.91 -34.03 38.49 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.435 0 N-CA-C 112.035 0.383 . . . . 10.0 112.035 -178.805 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 48.9 pt -67.76 -36.98 77.73 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.213 0 C-N-CA 120.744 -0.382 . . . . 10.0 111.54 -179.372 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 46.3 tp10 -67.15 -38.58 85.76 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 121.028 0.442 . . . . 10.0 109.987 179.796 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 96.1 mttt -68.77 -43.22 76.22 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.978 -0.556 . . . . 10.0 110.398 179.519 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -67.13 -25.84 66.39 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.171 -0.468 . . . . 10.0 110.468 179.789 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 32.8 ttmt -61.72 -35.55 78.39 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.072 0.463 . . . . 10.0 110.17 179.197 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 15.8 m-85 -83.27 2.11 37.63 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.992 -0.549 . . . . 10.0 111.311 -179.767 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 57.0 mt-10 -128.8 22.03 5.87 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.867 0.365 . . . . 10.0 111.498 -178.911 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 21.3 mt -109.39 159.32 17.11 Favored 'General case' 0 C--N 1.325 -0.461 0 C-N-CA 121.08 -0.248 . . . . 10.0 110.361 179.704 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . 0.483 ' O ' ' HB2' ' A' ' 37' ' ' ASP . 0.8 OUTLIER -88.69 9.33 24.66 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 120.844 0.354 . . . . 10.0 111.068 -179.262 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . 0.483 ' HB2' ' O ' ' A' ' 36' ' ' SER . 98.6 m-20 76.96 -34.84 0.22 Allowed 'General case' 0 C--O 1.253 1.275 0 C-N-CA 124.353 1.061 . . . . 0.0 110.99 178.094 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -68.74 -44.83 72.98 Favored 'General case' 0 C--N 1.327 -0.388 0 O-C-N 121.089 -1.007 . . . . 10.0 111.723 -179.386 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -74.2 -14.3 60.92 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.327 0.584 . . . . 10.0 110.441 -179.167 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 46.1 tp -67.03 -18.82 65.54 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.592 -0.731 . . . . 10.0 110.559 179.831 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -62.06 -44.95 95.58 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.032 -0.531 . . . . 10.0 110.855 179.735 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -87.17 -23.27 6.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.168 -0.469 . . . . 10.0 110.818 179.75 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 55.8 t80 -67.45 -35.53 79.39 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.067 -0.515 . . . . 10.0 110.41 179.657 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -59.7 -53.16 61.28 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 116.117 -0.492 . . . . 10.0 110.478 179.394 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . 0.415 ' HB3' ' OE1' ' C' ' 28' ' ' GLU . 1.4 m -62.3 -31.44 72.04 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.065 -0.516 . . . . 10.0 111.277 -179.863 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -65.92 -49.54 67.63 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.845 0.355 . . . . 10.0 110.472 179.5 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -66.12 -43.06 88.22 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.08 -0.509 . . . . 10.0 110.154 179.546 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -58.02 -51.05 71.26 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.88 -0.6 . . . . 10.0 110.515 179.649 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 3.2 t60 -60.68 -38.46 85.03 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.817 -0.629 . . . . 10.0 110.861 -179.877 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . 0.527 ' NE ' ' HA ' ' A' ' 16' ' ' ARG . 31.4 tpt180 -69.61 -37.93 77.05 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.179 -0.464 . . . . 10.0 111.035 -179.728 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 25.3 tp -66.43 -39.57 88.99 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.721 -0.218 . . . . 10.0 110.984 -179.5 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.463 ' HB2' ' CH2' ' A' ' 68' ' ' TRP . . . -57.77 -49.24 77.27 Favored 'General case' 0 C--O 1.235 0.337 0 CA-C-N 116.384 -0.371 . . . . 10.0 111.776 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 7.6 pt-20 -72.01 -30.77 65.56 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.314 -0.403 . . . . 10.0 111.346 -179.341 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.481 HD12 ' HA ' ' A' ' 54' ' ' LEU . 7.4 tp -73.78 -49.46 25.29 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.319 -0.4 . . . . 10.0 111.589 -179.126 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 93.4 m -61.83 -39.15 90.82 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 111.875 0.324 . . . . 10.0 111.875 -179.268 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' MET . . . . . 0.492 ' HG3' ' CG2' ' A' ' 67' ' ' VAL . 30.5 mmm -85.89 -4.44 59.17 Favored 'General case' 0 C--N 1.326 -0.436 0 C-N-CA 121.127 -0.229 . . . . 10.0 111.523 -179.475 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 6.1 t30 54.99 45.91 25.42 Favored 'General case' 0 C--O 1.232 0.148 0 CA-C-O 121.311 0.577 . . . . 10.0 110.593 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 36.1 tttp -162.66 118.45 1.87 Allowed 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.709 -0.678 . . . . 10.0 109.709 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 3.7 mp -74.84 134.43 41.71 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 116.323 -0.398 . . . . 10.0 111.362 -179.382 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 42.6 m-85 -138.23 134.49 34.49 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.531 -0.759 . . . . 10.0 110.175 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -74.04 -42.1 60.77 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 108.766 -0.827 . . . . 10.0 108.766 178.521 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 23.3 pttp -106.17 142.69 35.44 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 108.392 -0.966 . . . . 10.0 108.392 178.245 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 47.7 mm -108.3 120.51 46.43 Favored Pre-proline 0 C--N 1.321 -0.651 0 C-N-CA 120.954 -0.298 . . . . 10.0 111.536 -178.521 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . 0.442 ' HG2' ' HB ' ' A' ' 67' ' ' VAL . 59.9 Cg_endo -82.39 137.39 9.25 Favored 'Trans proline' 0 N--CA 1.453 -0.892 0 C-N-CA 122.348 2.032 . . . . 10.0 110.843 177.949 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -56.73 -25.66 55.16 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 112.223 0.453 . . . . 10.0 112.223 -178.814 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 95.8 p -76.49 -1.18 25.93 Favored 'General case' 0 C--O 1.258 1.551 0 O-C-N 121.556 -0.715 . . . . 0.0 110.975 -178.131 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.492 ' CG2' ' HG3' ' A' ' 56' ' ' MET . 0.9 OUTLIER -102.31 -13.77 8.4 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.047 0 CA-C-N 119.86 1.209 . . . . 10.0 112.095 -178.65 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' TRP . . . . . 0.614 ' CZ2' ' HE2' ' C' ' 32' ' ' LYS . 40.6 m95 -73.68 -5.38 40.18 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 112.187 0.44 . . . . 10.0 112.187 -178.763 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . 0.432 ' HD3' ' O ' ' A' ' 69' ' ' LYS . 12.8 tppt? -69.86 -29.17 66.34 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.244 0.545 . . . . 10.0 110.201 179.285 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 75.0 m-85 -79.62 -10.9 59.87 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.12 -0.491 . . . . 10.0 111.473 -179.056 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.412 HD11 ' HA ' ' A' ' 52' ' ' ALA . 3.7 mp -102.83 113.32 39.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-O 121.305 0.574 . . . . 10.0 109.995 -179.8 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . 0.566 ' HA ' ' NH1' ' B' ' 15' ' ' ARG . 71.9 mtp180 . . . . . 0 C--O 1.246 0.901 0 CA-C-O 118.565 -0.731 . . . . 10.0 110.471 -179.096 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.455 -0.222 0 N-CA-C 109.81 -0.441 . . . . 10.0 109.81 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . -81.66 -49.3 10.65 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.813 -0.631 . . . . 10.0 111.083 -179.734 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -66.21 -14.28 61.64 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.048 -0.524 . . . . 10.0 111.707 -178.918 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 67.1 tttt -78.68 -29.42 45.57 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 120.951 0.405 . . . . 10.0 110.932 -179.819 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 7' ' ' ILE . . . . . . . . . . . . . 13.9 mt -75.03 -26.24 18.98 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-N 116.144 -0.48 . . . . 10.0 110.646 -179.408 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 10.5 mp -81.59 -10.01 59.54 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.777 -0.647 . . . . 10.0 111.128 -179.405 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 9' ' ' ASN . . . . . . . . . . . . . 19.6 t-20 -71.4 -47.53 55.52 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.026 0.441 . . . . 10.0 110.426 -179.821 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 10' ' ' ASN . . . . . 0.517 ' OD1' ' HB2' ' B' ' 12' ' ' ARG . 20.4 t-20 -104.4 130.3 52.28 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.853 -0.612 . . . . 10.0 110.498 -179.732 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 36.6 mt -65.56 -33.11 61.39 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-N 115.747 -0.661 . . . . 10.0 112.648 -178.678 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 12' ' ' ARG . . . . . 0.517 ' HB2' ' OD1' ' B' ' 10' ' ' ASN . 17.6 mmt85 -63.17 -39.74 95.53 Favored 'General case' 0 N--CA 1.465 0.31 0 CA-C-O 120.676 0.274 . . . . 10.0 111.08 -179.1 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 13' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -77.45 -35.12 54.2 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.096 0.475 . . . . 10.0 110.779 179.586 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 47.3 tp -69.16 -41.12 77.68 Favored 'General case' 0 C--O 1.234 0.285 0 CA-C-N 115.701 -0.681 . . . . 10.0 111.94 -179.304 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 15' ' ' ARG . . . . . 0.566 ' NH1' ' HA ' ' A' ' 72' ' ' ARG . 33.8 mtt180 -56.52 -38.85 72.39 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.459 -0.337 . . . . 10.0 111.312 -179.575 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 16' ' ' ALA . . . . . . . . . . . . . . . -65.45 -41.59 93.27 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.318 -0.401 . . . . 10.0 111.512 -179.887 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 17' ' ' GLN . . . . . 0.559 ' O ' ' HG2' ' B' ' 20' ' ' GLU . 3.4 tp60 -70.61 -33.15 70.72 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.046 0.45 . . . . 10.0 111.25 -179.361 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -68.9 -9.6 52.64 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.217 -0.447 . . . . 10.0 112.106 -179.259 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 19' ' ' ARG . . . . . 0.402 ' HG2' ' O ' ' B' ' 15' ' ' ARG . 20.5 mmm180 -83.19 -8.62 59.46 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 111.958 0.355 . . . . 10.0 111.958 -179.53 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 20' ' ' GLU . . . . . 0.559 ' HG2' ' O ' ' B' ' 17' ' ' GLN . 10.7 pt-20 -100.7 2.83 41.83 Favored 'General case' 0 C--N 1.328 -0.356 0 C-N-CA 120.802 -0.359 . . . . 10.0 111.146 179.871 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 21' ' ' CYS . . . . . . . . . . . . . 79.3 m -130.28 152.54 49.59 Favored 'General case' 0 CA--C 1.511 -0.536 0 CA-C-O 120.831 0.348 . . . . 0.0 110.956 179.454 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -81.2 164.98 21.92 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.036 -0.529 . . . . 10.0 111.251 179.16 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 47.6 tp -55.02 -47.82 74.21 Favored 'General case' 0 N--CA 1.463 0.2 0 CA-C-N 116.28 -0.418 . . . . 10.0 111.135 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 40.3 mt-10 -56.86 -43.94 81.69 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.148 -0.478 . . . . 10.0 111.426 -179.237 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -64.28 -43.5 94.58 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.835 0.35 . . . . 10.0 111.061 -179.93 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 26' ' ' LEU . . . . . 0.503 ' O ' ' HG3' ' B' ' 29' ' ' MET . 81.8 mt -68.51 -41.57 79.8 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.931 -0.577 . . . . 10.0 110.663 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 23.5 tt0 -64.51 -41.13 96.6 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.261 -0.427 . . . . 10.0 110.51 179.793 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 13.5 tt0 -61.43 -48.84 79.35 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.017 -0.538 . . . . 10.0 110.837 179.747 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 29' ' ' MET . . . . . 0.513 ' SD ' HD21 ' C' ' 33' ' ' LEU . 4.5 ppp? -70.21 -26.76 64.02 Favored 'General case' 0 C--N 1.33 -0.258 0 C-N-CA 121.004 -0.278 . . . . 10.0 110.756 -179.369 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 40.2 tp -62.22 -47.09 85.98 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-O 120.918 0.39 . . . . 10.0 109.963 178.655 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 17.9 mt-10 -65.23 -32.83 74.7 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.765 -0.652 . . . . 10.0 110.534 179.676 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 32' ' ' LYS . . . . . 0.446 ' O ' HG23 ' B' ' 36' ' ' VAL . 13.1 mttt -65.56 -46.16 80.55 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.201 -0.454 . . . . 10.0 110.22 179.492 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 33' ' ' LEU . . . . . 0.486 ' O ' HG23 ' B' ' 37' ' ' VAL . 52.5 tp -70.36 -39.57 74.56 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.422 -0.354 . . . . 10.0 110.658 179.829 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 11.2 tp10 -56.4 -48.8 76.16 Favored 'General case' 0 CA--C 1.532 0.282 0 CA-C-N 116.133 -0.485 . . . . 10.0 111.525 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 35' ' ' VAL . . . . . 0.435 ' O ' ' HG3' ' B' ' 39' ' ' GLU . 27.2 m -64.89 -34.96 73.93 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.276 0 C-N-CA 120.617 -0.433 . . . . 10.0 111.26 -179.52 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 36' ' ' VAL . . . . . 0.446 HG23 ' O ' ' B' ' 32' ' ' LYS . 70.4 t -65.18 -44.01 95.41 Favored 'Isoleucine or valine' 0 C--O 1.238 0.454 0 CA-C-O 121.011 0.434 . . . . 10.0 109.988 179.238 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 37' ' ' VAL . . . . . 0.486 HG23 ' O ' ' B' ' 33' ' ' LEU . 47.6 t -67.44 -38.37 80.59 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.26 0 N-CA-C 109.383 -0.599 . . . . 10.0 109.383 178.88 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 65.3 t30 -60.08 -40.14 88.55 Favored 'General case' 0 C--O 1.234 0.251 0 CA-C-N 116.042 -0.527 . . . . 10.0 109.976 178.889 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 39' ' ' GLU . . . . . 0.435 ' HG3' ' O ' ' B' ' 35' ' ' VAL . 95.2 mt-10 -59.97 -46.33 89.76 Favored 'General case' 0 N--CA 1.456 -0.148 0 N-CA-C 109.37 -0.604 . . . . 10.0 109.37 178.295 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 40' ' ' ARG . . . . . 0.43 HH11 ' HD3' ' B' ' 40' ' ' ARG . 9.6 mmm-85 -61.84 -41.12 97.41 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 115.649 -0.705 . . . . 10.0 110.681 179.458 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 41' ' ' ARG . . . . . . . . . . . . . 59.5 mtt180 -56.93 -44.12 82.14 Favored 'General case' 0 CA--C 1.521 -0.147 0 N-CA-C 109.624 -0.51 . . . . 10.0 109.624 178.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 7.0 tp10 -69.8 -46.72 65.08 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.431 -0.804 . . . . 10.0 111.004 -179.823 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 50.1 mt-10 -58.63 -35.91 73.24 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.453 -0.34 . . . . 10.0 111.791 -178.943 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -83.72 -32.83 25.3 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 112.356 0.502 . . . . 10.0 112.356 -179.266 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 45' ' ' SER . . . . . . . . . . . . . 23.2 p -79.2 -25.66 42.68 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.895 0.378 . . . . 10.0 110.827 -179.688 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.45 0 CA-C-N 116.15 -0.477 . . . . 10.0 110.85 179.325 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' C' C ' 3' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.143 0 CA-C-O 120.807 0.337 . . . . 10.0 111.101 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 4' ' ' ALA . . . . . . . . . . . . . . . -61.15 -38.07 85.1 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.286 -0.416 . . . . 10.0 111.612 -179.159 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 5' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -67.57 -24.51 65.52 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.129 -0.487 . . . . 10.0 111.516 -179.424 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 6' ' ' LYS . . . . . . . . . . . . . 20.0 tptm -73.16 -38.39 66.22 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.763 0.316 . . . . 10.0 111.164 -179.465 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 7' ' ' ILE . . . . . . . . . . . . . 7.6 mt -66.99 -33.5 63.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-O 121.212 0.53 . . . . 10.0 110.513 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 8' ' ' LEU . . . . . . . . . . . . . 9.0 mp -79.13 -5.87 55.17 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.287 -0.869 . . . . 10.0 111.219 -179.46 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 9' ' ' ASN . . . . . . . . . . . . . 2.4 t-20 -86.32 -14.17 44.4 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.024 0.44 . . . . 10.0 110.406 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 10' ' ' ASN . . . . . 0.523 ' HB3' ' OG1' ' C' ' 13' ' ' THR . 15.2 t-20 -103.24 115.72 31.11 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.73 -0.668 . . . . 10.0 110.032 -179.776 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 11' ' ' ILE . . . . . . . . . . . . . 4.6 tp -58.57 -27.57 34.26 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.353 0 CA-C-N 115.833 -0.621 . . . . 10.0 112.443 -178.632 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 12' ' ' ARG . . . . . . . . . . . . . 15.1 mmt180 -69.02 -56.54 7.44 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.695 0.283 . . . . 10.0 111.026 -179.611 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 13' ' ' THR . . . . . 0.523 ' OG1' ' HB3' ' C' ' 10' ' ' ASN . 1.2 p -67.7 -34.11 76.23 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.187 -0.46 . . . . 10.0 110.995 -179.507 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 14' ' ' LEU . . . . . . . . . . . . . 28.1 tp -59.81 -51.13 71.04 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.164 -0.471 . . . . 10.0 110.296 179.588 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 15' ' ' ARG . . . . . 0.405 HH11 ' HD2' ' C' ' 15' ' ' ARG . 36.5 ttm105 -64.5 -36.05 82.95 Favored 'General case' 0 CA--C 1.532 0.281 0 CA-C-O 120.922 0.391 . . . . 10.0 110.266 179.78 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 16' ' ' ALA . . . . . . . . . . . . . . . -65.3 -46.41 80.5 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.174 -0.466 . . . . 10.0 111.677 -179.907 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 17' ' ' GLN . . . . . . . . . . . . . 98.2 mt-30 -74.21 -39.21 63.27 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.945 0.402 . . . . 10.0 111.49 -179.35 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 18' ' ' ALA . . . . . . . . . . . . . . . -67.32 -28.02 67.64 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.381 -0.372 . . . . 10.0 111.906 -179.532 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 19' ' ' ARG . . . . . . . . . . . . . 7.7 mtt180 -68.62 -12.98 62.04 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 111.938 0.347 . . . . 10.0 111.938 -179.32 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 20' ' ' GLU . . . . . . . . . . . . . 22.7 mt-10 -92.16 -1.47 57.14 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.979 0.418 . . . . 10.0 110.231 179.202 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 21' ' ' CYS . . . . . . . . . . . . . 71.8 m -111.82 153.28 26.82 Favored 'General case' 0 CA--C 1.511 -0.534 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.977 179.574 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 22' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -76.84 152.04 35.64 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.74 -0.664 . . . . 10.0 110.843 179.903 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 16.3 tp -62.83 -33.42 75.19 Favored 'General case' 0 C--N 1.332 -0.17 0 N-CA-C 110.027 -0.36 . . . . 10.0 110.027 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 24' ' ' GLU . . . . . . . . . . . . . 2.2 tp10 -53.9 -44.32 70.4 Favored 'General case' 0 C--O 1.231 0.079 0 CA-C-N 115.819 -0.628 . . . . 10.0 109.901 178.743 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 25' ' ' THR . . . . . 0.451 ' O ' ' HB3' ' C' ' 29' ' ' MET . 0.2 OUTLIER -78.02 -38.73 44.05 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.693 -0.685 . . . . 10.0 111.32 -179.574 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' C' C ' 26' ' ' LEU . . . . . . . . . . . . . 94.4 mt -64.19 -45.62 87.56 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.295 -0.411 . . . . 10.0 111.822 -179.347 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 27' ' ' GLU . . . . . . . . . . . . . 6.6 tp10 -65.82 -50.63 63.93 Favored 'General case' 0 C--N 1.327 -0.408 0 C-N-CA 121.198 -0.201 . . . . 10.0 111.187 -179.209 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 28' ' ' GLU . . . . . 0.415 ' OE1' ' HB3' ' A' ' 45' ' ' SER . 2.0 tt0 -69.69 -4.31 19.04 Favored 'General case' 0 N--CA 1.469 0.517 0 N-CA-C 111.736 0.273 . . . . 10.0 111.736 -179.176 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 29' ' ' MET . . . . . 0.451 ' HB3' ' O ' ' C' ' 25' ' ' THR . 3.2 ptp -105.36 -31.54 9.0 Favored 'General case' 0 C--N 1.33 -0.256 0 N-CA-C 109.714 -0.476 . . . . 10.0 109.714 177.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 30' ' ' LEU . . . . . . . . . . . . . 34.5 tp -70.88 -37.45 73.03 Favored 'General case' 0 CA--C 1.518 -0.269 0 N-CA-C 109.766 -0.457 . . . . 10.0 109.766 179.302 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 31' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -60.55 -27.82 67.96 Favored 'General case' 0 N--CA 1.455 -0.209 0 CA-C-N 115.932 -0.576 . . . . 10.0 110.467 179.379 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 32' ' ' LYS . . . . . 0.614 ' HE2' ' CZ2' ' A' ' 68' ' ' TRP . 31.8 mmtp -77.09 -34.41 56.9 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.162 0.506 . . . . 10.0 110.531 179.638 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 33' ' ' LEU . . . . . 0.513 HD21 ' SD ' ' B' ' 29' ' ' MET . 54.8 tp -74.73 -45.54 43.43 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.825 -0.625 . . . . 10.0 111.6 -179.372 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 34' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -61.5 -37.21 82.86 Favored 'General case' 0 C--N 1.33 -0.266 0 C-N-CA 121.021 -0.272 . . . . 10.0 111.583 -178.923 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 35' ' ' VAL . . . . . . . . . . . . . 31.1 m -74.49 -31.4 27.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 C-N-CA 120.743 -0.383 . . . . 10.0 110.525 179.622 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 36' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -67.46 -33.77 64.44 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.288 0 CA-C-O 121.127 0.489 . . . . 10.0 109.745 179.368 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 37' ' ' VAL . . . . . 0.424 HG23 ' O ' ' C' ' 33' ' ' LEU . 57.6 t -77.62 -36.89 23.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 115.969 -0.559 . . . . 10.0 109.911 178.869 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 38' ' ' ASN . . . . . . . . . . . . . 3.0 t30 -60.49 -40.11 90.13 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.993 -0.549 . . . . 10.0 110.361 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 39' ' ' GLU . . . . . . . . . . . . . 10.0 mt-10 -61.28 -39.21 89.56 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.208 -0.451 . . . . 10.0 110.423 179.108 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 40' ' ' ARG . . . . . 0.512 ' HD2' ' OE1' ' C' ' 43' ' ' GLU . 11.8 mmm180 -67.55 -33.99 76.17 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 109.324 -0.621 . . . . 10.0 109.324 178.614 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 41' ' ' ARG . . . . . 0.4 ' HE ' ' HB3' ' C' ' 41' ' ' ARG . 8.7 mmm180 -63.68 -43.63 96.09 Favored 'General case' 0 C--O 1.232 0.151 0 N-CA-C 109.215 -0.661 . . . . 10.0 109.215 178.625 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 42' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -60.67 -43.29 97.84 Favored 'General case' 0 N--CA 1.455 -0.217 0 CA-C-N 115.43 -0.805 . . . . 10.0 110.337 179.334 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 43' ' ' GLU . . . . . 0.512 ' OE1' ' HD2' ' C' ' 40' ' ' ARG . 49.3 mt-10 -56.83 -46.34 81.75 Favored 'General case' 0 C--O 1.233 0.209 0 CA-C-O 120.955 0.407 . . . . 10.0 110.661 179.395 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 44' ' ' GLU . . . . . . . . . . . . . 1.5 tp10 -66.59 -46.62 75.34 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.654 -0.703 . . . . 10.0 111.718 -179.256 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 45' ' ' SER . . . . . . . . . . . . . 69.3 m -71.33 -18.12 62.41 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 112.179 0.437 . . . . 10.0 112.179 -179.201 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 46' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.351 0 CA-C-O 121.041 0.448 . . . . 10.0 111.131 -179.988 . . . . . . . . 0 0 . 1 stop_ save_